SCHEMBL2862622

SCHEMBL2862622

COc1c(C(C)(C)C)cc(P(=O)(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2Br)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TNFRSF1A P19438 2/20 0.39
ERBB2 P04626 2/20 0.38
EGFR P00533 1/20 0.38
PTGS2 P35354 3/20 0.35
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.31
NQO2 P16083 1/20 0.31
FABP4 P15090 1/20 0.31
MAPT P10636 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
PTGS1 P23219 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
SCHEMBL459659 0.74 CA1 (0.34) CYP1A2CYP2C19TNFRSF1APTGS2ALDH1A1
SCHEMBL460486 0.72 CA1 (0.43) CYP1A2CYP2C19TNFRSF1AEGFRPTGS2
SCHEMBL2852821 0.71 TNFRSF1A (0.38) CYP1A2CYP2C19TNFRSF1AERBB2EGFR
SCHEMBL458095 0.70 ALDH1A1 (0.36) CYP1A2TNFRSF1APTGS2ALDH1A1TSHR
SCHEMBL1784097 0.69 POLB (0.44) CYP1A2CYP2C19NPSR1KMT2AMEN1
SCHEMBL14026094 0.67 PTGS2 (0.38) CYP1A2CYP2C19TNFRSF1APTGS2ALDH1A1
SCHEMBL5966327 0.67 NPSR1 (0.53) NPSR1KMT2AMEN1GAAMAPT
SCHEMBL1304740 0.66 PTGS2 (0.50) CYP1A2TNFRSF1AERBB2EGFRPTGS2
SCHEMBL5384389 0.66 CYP3A4 (0.39) KMT2AMEN1ALDH1A1NQO2
SCHEMBL5090616 0.66 CA2 (0.41) TNFRSF1AERBB2EGFRPTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318156-B1 Novel asymmetric phosphine ligand TAKASAGO PERFUMERY CO LTD (JP) 2010-01-20 EP disclosed
US-6730629-B2 HYDROGENATION CATALYST TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-05-04 US disclosed
US-20030139285-A1 Novel asymmetric phosphine ligand TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-07-24 US disclosed
EP-1318156-A1 Novel asymmetric phosphine ligand Takasago International Corporation (JP) 2003-06-11 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 (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-20030139285-A1 Novel asymmetric phosphine ligand PHOSPHO1, PAPSS1, PPM1F CYP1A2 1910/4885CYP2C19 829/4885NPSR1 2888/4885

“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.