SCHEMBL3788905

SCHEMBL3788905

CCCCOc1ccc(N)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
TSHR P16473 3/20 0.49
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
MEN1 O00255 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43

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
SCHEMBL469903 0.93 MAPT (0.51) KDM4ETSHRKMT2AMAPTNPC1
SCHEMBL3785877 0.85 DRD4 (0.54) KDM4ETSHRCYP1A2CYP2C9CYP2C19
SCHEMBL1876235 0.85 KMT2A (0.59) KDM4ETSHRKMT2AMAPTNPC1
SCHEMBL13862115 0.84 KDM4E (0.41) KDM4ETSHRKMT2ANPC1HSD17B10
SCHEMBL11705414 0.84 SMN1; SMN2 (0.47) KDM4ETSHRTHRBSMN1; SMN2HSD17B10
SCHEMBL12885024 0.82 KDM4E (0.69) KDM4ETHRATHRBKMT2ANPC1
SCHEMBL11655575 0.82 TSHR (0.53) KDM4ETSHRCYP1A2CYP2C9CYP2C19
SCHEMBL30646245 0.82 TSHR (0.53) KDM4ETSHRCYP1A2CYP2C9CYP2C19
SCHEMBL3863505 0.82 KDM4E (0.63) KDM4ETSHRCYP1A2CYP2C9CYP2C19
SCHEMBL5462216 0.81 SMN1; SMN2 (0.49) KDM4ETSHRSMN1; SMN2CA12CA1

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 2 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

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 KDM4E 2606/4885TSHR 1688/4885CYP1A2 170/4885

“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.