SCHEMBL12465802

SCHEMBL12465802

CC1(C)CCOc2ccc(C(=O)CBr)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.56
RARB P10826 5/20 0.56
RARG P13631 5/20 0.56
CYP26A1 O43174 2/20 0.55
CYP26B1 Q9NR63 2/20 0.55
RXRA P19793 2/20 0.52
PTGS1 P23219 3/20 0.48
PTGS2 P35354 3/20 0.48
HNF4A P41235 1/20 0.46
ATM Q13315 1/20 0.46
HPGD P15428 1/20 0.43
SSTR5 P35346 2/20 0.42
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
CYP3A4 P08684 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL8907172 0.83 ATM (0.43) RARARARBRARGCYP26A1CYP26B1
SCHEMBL2240304 0.82 RARB (0.76) RARARARBRARGCYP26A1CYP26B1
SCHEMBL2240683 0.82 RARB (0.64) RARARARBRARGCYP26A1CYP26B1
Hydrochloric Acid SCHEMBL9133279 0.81 RARB (0.74) RARARARBRARGCYP26A1CYP26B1
SCHEMBL9133271 0.81 RARB (0.60) RARARARBRARGCYP26A1CYP26B1
SCHEMBL8703530 0.81 CYP26A1 (0.64) RARARARBRARGCYP26A1CYP26B1
SCHEMBL15388709 0.80 RARB (0.50) RARARARBRARGCYP26A1CYP26B1
SCHEMBL1550094 0.79 CYP3A4 (0.59) RARARARBRARGCYP26A1CYP26B1
SCHEMBL12465721 0.78 RARB (0.48) RARARARBRARGCYP26A1CYP26B1
SCHEMBL10563217 0.78 RARB (0.70) RARARARBRARGCYP26A1CYP26B1

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-2670744-B1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR LUPIN LTD (IN) 2015-05-27 EP disclosed
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
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 RARA 1083/4885RARB 1245/4885RARG 972/4885

“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.