SCHEMBL3786689

SCHEMBL3786689

CCCOc1c(N)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CSNK2A1 P68400 2/20 0.40
TSHR P16473 1/20 0.40
BCHE P06276 4/20 0.40
ACHE P22303 4/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.40
CASP7 P55210 1/20 0.40

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
SCHEMBL3783707 0.91 CYP1A2 (0.53) L3MBTL1KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL10437723 0.89 CYP1A2 (0.47) L3MBTL1KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL17826761 0.86 L3MBTL1 (0.56) L3MBTL1KDM4EALDH1A1CSNK2A1TSHR
SCHEMBL3785150 0.85 ALDH1A1 (0.48) L3MBTL1KDM4EALDH1A1TSHRBCHE
SCHEMBL17959491 0.83 PLAU (0.42) L3MBTL1KDM4EALDH1A1TSHRBCHE
SCHEMBL8068646 0.81 KDM4E (0.49) L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL16572858 0.79 KDM4E (0.68) L3MBTL1KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL28092527 0.79 CD44 (0.43) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3786544 0.79 L3MBTL1 (0.58) L3MBTL1KDM4ECSNK2A1TSHRACHE
SCHEMBL28349396 0.79 CYP1A2 (0.56) L3MBTL1KDM4EALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
EP-0362729-A1 Process for producing water insoluble azo dyes on the fibre HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-11 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 L3MBTL1 3838/4885KDM4E 2606/4885ALDH1A1 4339/4885

“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.