SCHEMBL12465698

SCHEMBL12465698

CC1(C)CCOc2c(F)cc(C(=O)CBr)cc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.46
PTGS1 P23219 7/20 0.46
SSTR5 P35346 1/20 0.41
ALOX5 P09917 5/20 0.36
RARA P10276 6/20 0.36
RARB P10826 6/20 0.36
RARG P13631 6/20 0.36
HNF4A P41235 2/20 0.36
CYP26A1 O43174 1/20 0.36
CYP26B1 Q9NR63 1/20 0.36
RXRA P19793 4/20 0.35
PTPN1 P18031 1/20 0.35

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
SCHEMBL12468551 0.80 PTGS2 (0.40) PTGS2PTGS1SSTR5ALOX5RARA
SCHEMBL12465802 0.77 RARA (0.56) PTGS2PTGS1SSTR5RARARARB
SCHEMBL15397116 0.76 GNG2 (0.41) PTGS2PTGS1RARARARBRARG
SCHEMBL1550094 0.69 CYP3A4 (0.59) RARARARBRARGCYP26A1CYP26B1
SCHEMBL7154625 0.69 HNF4A (0.49) PTGS2PTGS1SSTR5RARARARB
SCHEMBL7161473 0.68 PTGS2 (0.67) PTGS2PTGS1ALOX5
SCHEMBL12465699 0.68 SSTR5 (0.33) PTGS2PTGS1SSTR5
SCHEMBL4612116 0.68 PTGS2 (0.74) PTGS2PTGS1ALOX5
SCHEMBL1849394 0.67 CES2 (0.56) PTPN1
SCHEMBL7196169 0.66 PTGS1 (0.42) PTGS2PTGS1SSTR5RARARARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2670744-B1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR LUPIN LTD (IN) 2015-05-27 EP disclosed
EP-2670744-A1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR Lupin Limited (IN) 2013-12-11 EP disclosed
US-20130310419-A1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR LUPIN LIMITED (IN) 2013-11-21 US disclosed
WO-2012104782-A1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR LUPIN LIMITED (IN) 2012-08-09 WO 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-20130310419-A1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR CHRNA7, CHRNE, CHRNA5 PTGS2 3625/4885PTGS1 3008/4885SSTR5 346/4885

“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.