SCHEMBL821042

SCHEMBL821042

CCCCC(C[O])c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
AOC3 Q16853 1/20 0.41
CNR2 P34972 1/20 0.40
NAAA Q02083 2/20 0.39
NR1I2 O75469 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
MME P08473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL1144765 0.88 AOC3 (0.47) POLBAOC3SIGMAR1NPSR1
SCHEMBL6682502 0.87 POLB (0.47) POLBALDH1A1KDM4EAOC3CNR2
SCHEMBL28343866 0.83 NR1I2 (0.49) POLBALDH1A1KDM4EAOC3CNR2
SCHEMBL598619 0.83 NR1I2 (0.49) POLBALDH1A1KDM4EAOC3CNR2
SCHEMBL2052039 0.83 POLB (0.45) POLBALDH1A1KDM4EAOC3CNR2
SCHEMBL6682155 0.83 SIGMAR1 (0.46) POLBALDH1A1KDM4ECNR2NAAA
SCHEMBL6679763 0.82 NR1I2 (0.47) POLBALDH1A1KDM4ENAAANR1I2
SCHEMBL17423122 0.82 NR1I2 (0.47) POLBALDH1A1KDM4ENAAANR1I2
SCHEMBL6683946 0.82 NR1I2 (0.47) POLBALDH1A1KDM4ENAAANR1I2
SCHEMBL10863122 0.82 NR1I2 (0.47) POLBALDH1A1KDM4ENAAANR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111655708-B 2, 3-biphosphinopyrazine derivative, process for producing the same, complex compound, catalyst, and process for producing organoboron compound 日本化学工业株式会社 2023-08-25 CN disclosed
CN-111032668-B Optically active 2,3-bisphosphinylpyrazine derivative, process for producing the same, transition metal complex, and process for producing organoboron compound 日本化学工业株式会社 2022-10-14 CN disclosed
US-11185851-B2 Polymer-supported metal TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-11-30 US disclosed
US-20210348081-A1 METHOD FOR RELEASING ALDEHYDE OR KETONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-11-11 US disclosed
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-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
CN-111655708-A 2, 3-bisphosphinylpyrazine derivative, process for producing the same, transition metal complex, chiral catalyst, and process for producing organoboron compound 日本化学工业株式会社 2020-09-11 CN disclosed
CN-111032668-A Optically active 2, 3-bisphosphinylpyrazine derivative, method for producing same, transition metal complex, and method for producing organoboron compound 日本化学工业株式会社 2020-04-17 CN disclosed
EP-1386901-A1 Method for producing an optically active beta-amino acid Takasago International Corporation (JP) 2004-02-04 EP disclosed
WO-2003106435-A1 FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF SANKYO COMPANY, LIMITED (JP) 2003-12-24 WO disclosed
US-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-13 US disclosed
EP-1243580-A1 HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nissan Chemical Industries, Ltd. (JP) 2002-09-25 EP disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed
CN-1039321-C New beta-amino-alpha-hydroxycarboxylic acids and their use SANKYO CO (JP) 1998-07-29 CN disclosed
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed
CN-1064683-A New beta-amino-alpha-hydroxycarboxylic acids and uses thereof SANKYO CO (JP) 1992-09-23 CN disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 EP 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-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 POLB 1317/4885ALDH1A1 3411/4885KDM4E 3897/4885
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 POLB 1570/4885ALDH1A1 3485/4885KDM4E 3830/4885
US-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use DDT, CBR3, CYP1B1 POLB 3693/4885ALDH1A1 1119/4885KDM4E 1835/4885
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 POLB 1510/4885ALDH1A1 3387/4885KDM4E 3840/4885
US-11053265-B2 Optically active substituted 2,3-bisphosphinoquinoxalines and processes for producing the same TBXA2R, TBC1D15, P2RY2 POLB 1542/4885ALDH1A1 3863/4885KDM4E 3100/4885
US-20210348081-A1 METHOD FOR RELEASING ALDEHYDE OR KETONE APEH, AKR7A2, FAAH2 POLB 2914/4885ALDH1A1 16/4885KDM4E 3101/4885
US-11185851-B2 Polymer-supported metal SOD1, PCNA, MAX POLB 238/4885ALDH1A1 4117/4885KDM4E 3007/4885

“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.