SCHEMBL3262485

SCHEMBL3262485

C=CCP(CC=C)c1ccccc1-c1ccccc1P(CC=C)CC=C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.36
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
MITF O75030 1/20 0.33
NSD2 O96028 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTPRC P08575 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
MEN1 O00255 1/20 0.31
CDC25B P30305 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL45454 0.88 CYP2C19 (0.33) CASP3ALDH1A1LMNACYP2C19
SCHEMBL1039516 0.88 ADRB2 (0.37) CASP3ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL7555105 0.78 TSHR (0.36) ALDH1A1KMT2ALMNAHTTL3MBTL1
SCHEMBL3258401 0.78 CYP2A6 (0.34) ALDH1A1KMT2AHTT
SCHEMBL23390709 0.72
SCHEMBL624569 0.71 CYP3A4 (0.39) CASP3ALDH1A1KMT2ALMNAHTT
Bromide SCHEMBL7610464 0.70 CYP3A4 (0.38) CASP3ALDH1A1KMT2ALMNAMEN1
SCHEMBL11896620 0.69 ACHE (0.41) ALDH1A1KMT2AHTTL3MBTL1CA12
SCHEMBL4449690 0.69 TP53 (0.32) ALDH1A1LMNAL3MBTL1CYP2C19
SCHEMBL14809988 0.68 CYBB (0.33) ALDH1A1KMT2AMEN1CDC25BCYP2C19

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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-2010208993-A 2,2'-BIS(DIALKYLPHOSPHINO)BIPHENYL COMPOUND, METHOD FOR PRODUCING THE SAME, AND METAL COMPLEX USING THE COMPOUND AS LIGAND NIPPON CHEM IND CO LTD 2010-09-24 JP 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-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
WO-2010004139-A1 NEW CYCLOALKYLATED BENZOTHIADIAZINE DERIVATIVES, METHOD FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2010-01-14 WO 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 (1 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-20100234626-A1 2, 2'-BIS (DIALKYLPHOSPHINO) BIPHENYL COMPOUND, PRODUCTION METHOD THEREOF, AND METAL COMPLEX COMPRISING THE COMPOUND AS LIGAND BMPR1A, ADORA1, BMPR1B CASP3 3611/4885ADRA1D 1546/4885ADRA1A 1069/4885

“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.