SCHEMBL2011912

SCHEMBL2011912

CCCCCC(O)c1[c]nccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
MEN1 O00255 1/20 0.36
GMNN O75496 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX5 P09917 1/20 0.36
HPGD P15428 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MTOR P42345 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL2069877 0.95 BDKRB2 (0.36) MAPK1LMNATP53CYP1A2CYP3A4
SCHEMBL3548162 0.90 TP53 (0.32) LMNATP53
SCHEMBL1145324 0.72 CSNK1E (0.41) LMNAALDH1A1SMN1; SMN2CSNK1EPPARG
SCHEMBL3589049 0.71 CSNK1E (0.43) ALDH1A1CSNK1EPPARGPPARAPRSS1
SCHEMBL3590952 0.71 CSNK1E (0.43) ALDH1A1CSNK1EPPARGPPARAPRSS1
SCHEMBL3594986 0.71 CSNK1E (0.43) ALDH1A1CSNK1EPPARGPPARAPRSS1
SCHEMBL3582718 0.71 CSNK1E (0.43) ALDH1A1CSNK1EPPARGPPARAPRSS1
SCHEMBL3584428 0.71 CSNK1E (0.43) ALDH1A1CSNK1EPPARGPPARAPRSS1
SCHEMBL3587334 0.71 CSNK1E (0.43) ALDH1A1CSNK1EPPARGPPARAPRSS1
SCHEMBL3594352 0.71 CSNK1E (0.43) ALDH1A1CSNK1EPPARGPPARAPRSS1

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
US-7964599-B2 Therapeutic compounds ALLERGAN, INC. (US) 2011-06-21 US disclosed
US-20090281104-A1 Therapeutic Compounds ALLERGAN, INC. (US) 2009-11-12 US disclosed
EP-2029518-A2 CYCLOPENTANE-DERIVATIVES AND THEIR USE AS OCULAR HYPOTENSIVE AGENTS Allergan, Inc. (US) 2009-03-04 EP disclosed
US-7476755-B2 Therapeutic compounds ALLERGAN, INC. (US) 2009-01-13 US disclosed
WO-2007130890-A2 CYCLOPENTANE-DERIVATIVES AND THEIR USE AS OCULAR HYPOTENSIVE AGENTS ALLERGAN, INC. (US) 2007-11-15 WO disclosed
US-20070259929-A1 Therapeutic Compounds ALLERGAN, INC. 2007-11-08 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 (2 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-20070259929-A1 Therapeutic Compounds PIGO, CYC1, COXFA4L2 MAPK1 4318/4885LMNA 1423/4885TP53 1668/4885
US-20090281104-A1 Therapeutic Compounds SLC10A1, ABCB11, GUSB MAPK1 3793/4885LMNA 2172/4885TP53 776/4885

“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.