SCHEMBL3785877

SCHEMBL3785877

CCCCOc1ccc(Cl)c(N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.54
KDM4E B2RXH2 2/20 0.50
TSHR P16473 3/20 0.49
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 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
LTA4H P09960 2/20 0.43
GLA P06280 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
SCHEMBL3786884 0.93 MAPT (0.55) DRD4KDM4ETSHRMAPTL3MBTL1
SCHEMBL3788905 0.85 KDM4E (0.50) KDM4ETSHRMAPTL3MBTL1CYP1A2
SCHEMBL972452 0.85 KMT2A (0.55) DRD4KDM4ETSHRMAPTL3MBTL1
SCHEMBL30595744 0.85 KMT2A (0.55) DRD4KDM4ETSHRMAPTL3MBTL1
SCHEMBL29684116 0.84 DRD4 (0.52) DRD4KDM4ETSHRMAPTL3MBTL1
SCHEMBL12885024 0.82 KDM4E (0.69) KDM4EL3MBTL1KMT2ASMN1; SMN2NPC1
SCHEMBL30646245 0.82 TSHR (0.53) KDM4ETSHRMAPTCYP1A2CYP2C9
SCHEMBL11655575 0.82 TSHR (0.53) KDM4ETSHRMAPTCYP1A2CYP2C9
SCHEMBL14453655 0.82 KDM4E (0.63) DRD4KDM4ETSHRMAPTCYP1A2
SCHEMBL5460871 0.81 DRD4 (0.54) DRD4KDM4ETSHRSMN1; SMN2CA12

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 DRD4 1820/4885KDM4E 2606/4885TSHR 1688/4885

“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.