SCHEMBL618046

SCHEMBL618046

O=C(O)CC1(Sc2ccccc2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
SLC22A12 Q96S37 2/20 0.38
ALDH1A1 P00352 3/20 0.37
HSD11B1 P28845 6/20 0.36
GRM5 P41594 1/20 0.35
AKR1C1 Q04828 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.33
CXCL12 P48061 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
SCHEMBL7303726 0.83 ALDH1A1 (0.44) FFAR1ALDH1A1KMT2A
SCHEMBL7307399 0.82 ALDH1A1 (0.43) FFAR1ALDH1A1KMT2AUSP2HPGD
SCHEMBL10456685 0.81 FFAR1 (0.39) FFAR1SLC22A12ALDH1A1HSD11B1GRM5
SCHEMBL7310236 0.78 HSD11B1 (0.44) ALDH1A1HSD11B1KMT2ANPC1TSHR
SCHEMBL4464641 0.76 ACHE (0.37) KMT2ANPC1CXCL12
SCHEMBL7307885 0.75 PLA2G2A (0.36) FFAR1ALDH1A1HSD11B1NPC1RAB9A
SCHEMBL2943296 0.74 GRM5 (0.37) GRM5AKR1C1KMT2ASMN1; SMN2
SCHEMBL7298947 0.74 MMP1 (0.47) FFAR1ALDH1A1KMT2ASMN1; SMN2HPGD
SCHEMBL7310502 0.72 CYP2C19 (0.42) ALDH1A1HSD11B1AKR1C1KMT2ASMN1; SMN2
SCHEMBL1983726 0.71 CYP2C19 (0.41) ALDH1A1HSD11B1KMT2ASMN1; SMN2TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931681-B1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS SA (CH) 2012-11-14 EP disclosed
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-11-01 US disclosed
US-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-16 US disclosed
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-01-27 US disclosed
US-7842703-B2 Substituted benzofused derivatives and their use as vanilloid receptor ligands GLENMARK PHARMACEUTICALS S.A. (CH) 2010-11-30 US disclosed
US-20080269253-A1 Substituted Benzofused Derivatives and Their Use as Vanilloid Receptor Ligands GLENMARK PHARMACEUTICALS, S.A. (CH) 2008-10-30 US 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 (4 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-20080269253-A1 Substituted Benzofused Derivatives and Their Use as Vanilloid Receptor Ligands TRPV1, GPR17, TRPV6 FFAR1 9/4885SLC22A12 1493/4885ALDH1A1 665/4885
US-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 FFAR1 11/4885SLC22A12 1521/4885ALDH1A1 604/4885
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 FFAR1 11/4885SLC22A12 1521/4885ALDH1A1 604/4885
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 FFAR1 9/4885SLC22A12 1493/4885ALDH1A1 665/4885

“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.