SCHEMBL3258401

SCHEMBL3258401

C=CCP(CC=C)c1cccc(-c2ccccc2)c1P(CC=C)CC=C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
DPP4 P27487 1/20 0.32
GPR52 Q9Y2T5 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HSD17B10 Q99714 2/20 0.31
HPGD P15428 1/20 0.31
BCL2L1 Q07817 1/20 0.31
MAPK1 P28482 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
SCHEMBL1039516 0.86 ADRB2 (0.37) CYP2A6ADRB2ADRB1PDCD1CD274
SCHEMBL3262485 0.78 CASP3 (0.36) KMT2AHTTALDH1A1
SCHEMBL45454 0.75 CYP2C19 (0.33) ALDH1A1
SCHEMBL14809990 0.73 PDCD1 (0.35) CYP2A6ADRB2PDCD1CD274DPP4
SCHEMBL7555105 0.67 TSHR (0.36) KMT2AHTTALDH1A1
SCHEMBL23390709 0.66
SCHEMBL624569 0.65 CYP3A4 (0.39) KMT2AHTTALDH1A1HPGD
SCHEMBL10029671 0.65 CYP2A6 (0.52) CYP2A6PDCD1CD274DPP4ALDH1A1
Bromide SCHEMBL7610464 0.64 CYP3A4 (0.38) KMT2AALDH1A1HPGD
SCHEMBL15260401 0.63 ALDH1A1 (0.41) CYP2A6PDCD1CD274DPP4KMT2A

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 2 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 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

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 CYP2A6 615/4885ADRB2 1256/4885ADRB1 1025/4885

“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.