SCHEMBL3787607

SCHEMBL3787607

CCCOc1cccc(OCCC)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP2A6 P11509 1/20 0.46
CSNK2A1 P68400 2/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
ALDH1A1 P00352 3/20 0.42
TP53 P04637 2/20 0.42
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.41
PKM P14618 1/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL15473216 0.90 ALDH1A1 (0.54) MCHR1NPC1RAB9ACYP2A6CSNK2A1
SCHEMBL3782141 0.89 CYP1A2 (0.57) MCHR1CYP1A2CYP2C19CYP2C9L3MBTL1
SCHEMBL16957909 0.88 HTR1B (0.43) MCHR1NPC1RAB9ACYP2A6CSNK2A1
SCHEMBL15634619 0.86 MCHR1 (0.41) MCHR1NPC1RAB9ACYP2A6CSNK2A1
SCHEMBL17534150 0.86 LMNA (0.47) MCHR1NPC1RAB9ACYP2A6CSNK2A1
SCHEMBL16957906 0.86 MCHR1 (0.41) MCHR1NPC1RAB9ACYP2A6CSNK2A1
SCHEMBL3803331 0.86 CYP1A2 (0.55) MCHR1NPC1RAB9ACYP2A6CSNK2A1
SCHEMBL18704479 0.86 MRGPRX4 (0.46) MCHR1NPC1RAB9ACYP2A6CSNK2A1
SCHEMBL20339403 0.85 CYP3A4 (0.51) MCHR1CYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL19612311 0.85 CYP3A4 (0.51) MCHR1CYP1A2CYP2C19CYP2C9ALDH1A1

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 MCHR1 4010/4885NPC1 724/4885RAB9A 1357/4885

“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.