SCHEMBL3773008

SCHEMBL3773008

O=C(O)c1c(Cl)ccc2cc3cc4cc5ccccc5cc4cc3cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 4/20 0.56
KMT2A Q03164 4/20 0.56
HSD17B10 Q99714 3/20 0.56
MEN1 O00255 3/20 0.56
HPGD P15428 2/20 0.56
CYP1A2 P05177 1/20 0.56
GLA P06280 1/20 0.56
CYP2C19 P33261 1/20 0.56
DPP4 P27487 1/20 0.44
GAA P10253 1/20 0.42
ALK Q9UM73 1/20 0.40
SOS1 Q07889 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
CDC25B P30305 2/20 0.37
PBRM1 Q86U86 1/20 0.37
CYP2A6 P11509 1/20 0.37
WDR5 P61964 1/20 0.37

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
SCHEMBL3701843 1.00 ALDH1A1 (0.56) ALDH1A1KDM4EKMT2AHSD17B10MEN1
SCHEMBL30106247 0.98 ALDH1A1 (0.58) ALDH1A1KDM4EKMT2AHSD17B10MEN1
SCHEMBL3367758 0.98 ALDH1A1 (0.58) ALDH1A1KDM4EKMT2AHSD17B10MEN1
SCHEMBL3778102 0.87 MEN1 (0.44) ALDH1A1KDM4EKMT2AHSD17B10MEN1
SCHEMBL3706346 0.87 MEN1 (0.44) ALDH1A1KDM4EKMT2AHSD17B10MEN1
SCHEMBL27855326 0.86 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AHSD17B10MEN1
SCHEMBL3699078 0.85 MEN1 (0.46) ALDH1A1KDM4EKMT2AHSD17B10MEN1
SCHEMBL3707483 0.85 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2AHSD17B10MEN1
SCHEMBL3776281 0.85 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2AHSD17B10MEN1
SCHEMBL3702460 0.83 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2AHSD17B10MEN1

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 35/4885KDM4E 4167/4885KMT2A 1032/4885

“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.