SCHEMBL3790478

SCHEMBL3790478

Nc1ccc(Oc2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.66
NCOA3 Q9Y6Q9 1/20 0.66
PTGDR2 Q9Y5Y4 1/20 0.55
BRD4 O60885 6/20 0.50
MAOB P27338 1/20 0.50
MAOA P21397 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NLRP3 Q96P20 1/20 0.46
GSTP1 P09211 1/20 0.43
MITF O75030 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL381147 0.95 NCOA1 (0.74) NCOA1NCOA3PTGDR2BRD4MAOB
SCHEMBL3783553 0.95 NCOA1 (0.64) NCOA1NCOA3PTGDR2BRD4MAOB
SCHEMBL29878226 0.95 NCOA1 (0.74) NCOA1NCOA3PTGDR2BRD4MAOB
SCHEMBL25135317 0.91 MAOB (0.59) NCOA1NCOA3PTGDR2BRD4MAOB
SCHEMBL3791571 0.91 NCOA1 (0.56) NCOA1NCOA3PTGDR2BRD4MAOB
SCHEMBL4324881 0.90 PTGDR2 (0.60) NCOA1NCOA3PTGDR2BRD4MAOB
SCHEMBL3794430 0.87 NCOA1 (0.68) NCOA1NCOA3PTGDR2BRD4MAOB
SCHEMBL25135299 0.86 NCOA1 (0.62) NCOA1NCOA3PTGDR2BRD4MAOB
SCHEMBL25135297 0.86 NCOA1 (0.62) NCOA1NCOA3PTGDR2BRD4MAOB
SCHEMBL1353636 0.86 NCOA1 (0.72) NCOA1NCOA3PTGDR2MAOBMAOA

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 NCOA1 2120/4885NCOA3 989/4885PTGDR2 3672/4885

“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.