SCHEMBL3703206

SCHEMBL3703206

CC(=O)c1c(Cl)cc2ccc3cccc4ccc1c2c34

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HPGD P15428 5/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
CYP1A2 P05177 3/20 0.43
ERBB2 P04626 1/20 0.43
FYN P06241 1/20 0.43
MAOA P21397 1/20 0.43
ACHE P22303 1/20 0.43
AHR P35869 1/20 0.43
HSD17B10 Q99714 4/20 0.42
TSHR P16473 3/20 0.42
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 2/20 0.39
GLA P06280 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL3712829 0.85 KMT2A (0.53) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL3710189 0.83 CYP1A2 (0.39) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL1666346 0.82 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL3706301 0.81 KMT2A (0.49) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL4948691 0.79 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL1666426 0.79 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL1666715 0.75 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL3657999 0.73 CYP1A2 (0.53) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL5199724 0.73 CYP1A2 (0.57) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL1976674 0.73 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EMAPTKMT2A

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 2477/4885KDM4E 4167/4885

“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.