SCHEMBL45454

SCHEMBL45454

C=CCP(CC=C)c1ccccc1P(CC=C)CC=C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CASP3 P42574 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3262485 0.88 CASP3 (0.36) CYP2C19ALDH1A1CASP3LMNA
SCHEMBL7555105 0.84 TSHR (0.36) ALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL23390709 0.82
SCHEMBL1039516 0.81 ADRB2 (0.37) CYP2C19ALDH1A1CASP3
SCHEMBL624569 0.77 CYP3A4 (0.39) CYP2C19ALDH1A1TSHRCASP3LMNA
SCHEMBL3258401 0.75 CYP2A6 (0.34) ALDH1A1
Bromide SCHEMBL7610464 0.75 CYP3A4 (0.38) CYP2C19ALDH1A1TSHRCASP3LMNA
SCHEMBL11896620 0.74 ACHE (0.41) ALDH1A1TSHR
SCHEMBL10762664 0.70 TSHR (0.36) ALDH1A1TSHRSMN1; SMN2
SCHEMBL4406205 0.70 MAPT (0.40) CYP2C19ALDH1A1TSHRLMNASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210155641-A1 METHOD FOR PRODUCING PHOSPHINOBENZENE BORANE DERIVATIVE, METHOD FOR PRODUCING 1,2-BIS(DIALKYLPHOSPHINO)BENZENE DERIVATIVE, AND TRANSITION METAL COMPLEX NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2021-05-27 US claimed
US-8957233-B2 Method for producing optically active 1,2-bis(dialkylphosphino)benzene derivative NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2015-02-17 US claimed
US-20130172597-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 1,2-BIS(DIALKYLPHOSPHINO)BENZENE DERIVATIVE NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2013-07-04 US claimed
US-11084835-B2 2,3-bisphosphinopyrazine derivative, method for producing same, transition metal complex, asymmetric catalyst, and method for producing organic boron compound NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2021-08-10 US disclosed
US-11053265-B2 Optically active substituted 2,3-bisphosphinoquinoxalines and processes for producing the same NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2021-07-06 US disclosed
US-20210155641-A1 METHOD FOR PRODUCING PHOSPHINOBENZENE BORANE DERIVATIVE, METHOD FOR PRODUCING 1,2-BIS(DIALKYLPHOSPHINO)BENZENE DERIVATIVE, AND TRANSITION METAL COMPLEX NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2021-05-27 US disclosed
US-20210047351-A1 2,3-BISPHOSPHINOPYRAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, TRANSITION METAL COMPLEX, ASYMMETRIC CATALYST, AND METHOD FOR PRODUCING ORGANIC BORON COMPOUND NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2021-02-18 US disclosed
US-20200377536-A1 OPTICALLY ACTIVE 2,3-BISPHOSPHINOPYRAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCING ORGANIC BORON COMPOUND NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2020-12-03 US disclosed
US-9029571-B2 Device and method for evaluating organic material for organic solar cell NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2015-05-12 US disclosed
US-8957233-B2 Method for producing optically active 1,2-bis(dialkylphosphino)benzene derivative NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2015-02-17 US disclosed
US-8957233-B2 Method for producing optically active 1,2-bis(dialkylphosphino)benzene derivative NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2015-02-17 US disclosed
US-20130172597-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 1,2-BIS(DIALKYLPHOSPHINO)BENZENE DERIVATIVE NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2013-07-04 US disclosed
US-20130172597-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 1,2-BIS(DIALKYLPHOSPHINO)BENZENE DERIVATIVE NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2013-07-04 US disclosed
CN-102985431-A Method for producing optically active 1,2-bis(dialkylphosphino)benzene derivative NIPPON CHEMICAL IND 2013-03-20 CN disclosed
CN-102985431-A Method for producing optically active 1,2-bis(dialkylphosphino)benzene derivative NIPPON CHEMICAL IND 2013-03-20 CN disclosed
US-8198471-B2 2, 2′-bis (dialkylphosphino) biphenyl compound, production method thereof, and metal complex comprising the compound as ligand NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2012-06-12 US disclosed
JP-2012017288-A METHOD FOR PRODUCING OPTICALLY ACTIVE 1, 2-BIS(DIALKYLPHOSPHINO)BENZENE DERIVATIVE NIPPON CHEM IND CO LTD 2012-01-26 JP disclosed
WO-2012005200-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 1,2-BIS(DIALKYLPHOSPHINO)BENZENE DERIVATIVE 日本化学工業株式会社 (JP) 2012-01-12 WO disclosed
US-20100234626-A1 2, 2'-BIS (DIALKYLPHOSPHINO) BIPHENYL COMPOUND, PRODUCTION METHOD THEREOF, AND METAL COMPLEX COMPRISING THE COMPOUND AS LIGAND NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2010-09-16 US disclosed
US-6194593-B1 USEFUL AS LIGAND FOR AN ASYMMETRIC CATALYST FOR USE IN ASYMMETRICAL HYDROGENATION NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2001-02-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210155641-A1 METHOD FOR PRODUCING PHOSPHINOBENZENE BORANE DERIVATIVE, METHOD FOR PRODUCING 1,2-BIS(DIALKYLPHOSPHINO)BENZENE DERIVATIVE, AND TRANSITION METAL COMPLEX P4HB, PAH, BOLA2; BOLA2B CYP2C19 347/4885ALDH1A1 1734/4885TSHR 1995/4885
US-20200377536-A1 OPTICALLY ACTIVE 2,3-BISPHOSPHINOPYRAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCING ORGANIC BORON COMPOUND ORC3, BMP2, TERT CYP2C19 1774/4885ALDH1A1 3411/4885TSHR 465/4885
US-20100234626-A1 2, 2'-BIS (DIALKYLPHOSPHINO) BIPHENYL COMPOUND, PRODUCTION METHOD THEREOF, AND METAL COMPLEX COMPRISING THE COMPOUND AS LIGAND BMPR1A, ADORA1, BMPR1B CYP2C19 435/4885ALDH1A1 653/4885TSHR 1584/4885
US-20210047351-A1 2,3-BISPHOSPHINOPYRAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, TRANSITION METAL COMPLEX, ASYMMETRIC CATALYST, AND METHOD FOR PRODUCING ORGANIC BORON COMPOUND BPGM, COASY, BRSK2 CYP2C19 976/4885ALDH1A1 3485/4885TSHR 1425/4885
US-11084835-B2 2,3-bisphosphinopyrazine derivative, method for producing same, transition metal complex, asymmetric catalyst, and method for producing organic boron compound BPGM, BRSK2, COASY CYP2C19 981/4885ALDH1A1 3387/4885TSHR 1485/4885
US-20130172597-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 1,2-BIS(DIALKYLPHOSPHINO)BENZENE DERIVATIVE RDX, BRIX1, P2RX1 CYP2C19 3032/4885ALDH1A1 2562/4885TSHR 1809/4885
US-11053265-B2 Optically active substituted 2,3-bisphosphinoquinoxalines and processes for producing the same TBXA2R, TBC1D15, P2RY2 CYP2C19 1102/4885ALDH1A1 3863/4885TSHR 286/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.