SCHEMBL3776281

SCHEMBL3776281

CC(=O)c1c(Cl)ccc2cc3cc4cc5ccccc5cc4cc3cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 5/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 2/20 0.41
NCEH1 Q6PIU2 1/20 0.37
CYP2A6 P11509 2/20 0.36
POLB P06746 1/20 0.36
HIF1A Q16665 2/20 0.35
CYP1B1 Q16678 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3707483 1.00 ALDH1A1 (0.44) ALDH1A1HPGDMAPTKDM4EKMT2A
SCHEMBL3702460 0.98 ALDH1A1 (0.45) ALDH1A1HPGDMAPTKDM4EKMT2A
SCHEMBL3773008 0.85 ALDH1A1 (0.56) ALDH1A1HPGDMAPTKDM4EKMT2A
SCHEMBL3701843 0.85 ALDH1A1 (0.56) ALDH1A1HPGDMAPTKDM4EKMT2A
SCHEMBL27855326 0.84 ALDH1A1 (0.46) ALDH1A1HPGDMAPTKDM4EKMT2A
SCHEMBL3367758 0.83 ALDH1A1 (0.58) ALDH1A1HPGDMAPTKDM4EKMT2A
SCHEMBL30106247 0.83 ALDH1A1 (0.58) ALDH1A1HPGDMAPTKDM4EKMT2A
SCHEMBL2424747 0.82 NCEH1 (0.51) ALDH1A1HPGDMAPTKDM4EKMT2A
SCHEMBL3778102 0.82 MEN1 (0.44) ALDH1A1HPGDMAPTKDM4EKMT2A
SCHEMBL3706346 0.82 MEN1 (0.44) ALDH1A1HPGDMAPTKDM4EKMT2A

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-2460789-B1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-04-19 EP disclosed
US-9079830-B2 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-14 US disclosed
EP-2460789-A1 METHOD FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-06-06 EP disclosed
US-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-17 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-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND AKR7A2, AOC2, CBR1 ALDH1A1 35/4885HPGD 2477/4885MAPT 2662/4885

“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.