SCHEMBL3971865

SCHEMBL3971865

CN(Cc1ccccc1)c1ccc2c(c1-c1ccc3ccccc3c1)CCC2=CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
ERN1 O75460 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
SOS1 Q07889 1/20 0.34
HIF1A Q16665 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
MGLL Q99685 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
OPRM1 P35372 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL3965742 0.89 CCNC (0.38) ACHEOPRM1TMEM97SIGMAR1
SCHEMBL3971870 0.77 RAB9A (0.35) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL3971864 0.77 RAB9A (0.35) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL3966007 0.73 FFAR4 (0.37) ERN1CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL3965739 0.68 MAPT (0.38) MEN1KMT2A
SCHEMBL3965744 0.68 MAPT (0.38) MEN1KMT2A
SCHEMBL3962266 0.66 CCNC (0.38) ERN1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3962264 0.66 CCNC (0.38) ERN1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3962205 0.65 MCL1 (0.39)
SCHEMBL3683508 0.65 CCNC (0.50) ACHECYP1A2MEN1KMT2A

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
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R ACHE 3542/4885ERN1 4020/4885CYP1A2 612/4885

“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.