SCHEMBL2013699

SCHEMBL2013699

CCCCCC1CCC(c2ccc(-c3ccc(C(=O)Nc4ccc(-c5cc6c(cc5OC)C(C)(C)c5cc(O)c7c(Cl)cc(Cl)cc7c5-6)cc4)cc3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 0.34
MCHR1 Q99705 6/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
F10 P00742 1/20 0.33
DGAT1 O75907 1/20 0.33
EPHX2 P34913 1/20 0.32

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
SCHEMBL1959761 1.00 ABCC1 (0.34) ABCC1MCHR1ALDH1A1LMNAMAPT
SCHEMBL9978056 0.83 ADCY6 (0.37) ABCC1MCHR1ALDH1A1LMNAMAPT
SCHEMBL9968469 0.83
SCHEMBL1333630 0.83
SCHEMBL1331968 0.81
SCHEMBL1331818 0.80 TP53 (0.33) MCHR1KDM4EDGAT1
SCHEMBL1962783 0.79 ALDH1A1 (0.38) MCHR1ALDH1A1LMNAMAPTDGAT1
SCHEMBL8772291 0.79 ALDH1A1 (0.38) MCHR1ALDH1A1LMNAMAPTDGAT1
SCHEMBL6113620 0.76 P2RY14 (0.40) MCHR1ALDH1A1LMNAMAPT
SCHEMBL8772192 0.76 P2RY14 (0.40) MCHR1ALDH1A1LMNAMAPTDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651913-B1 INDENO-FUSED RING COMPOUNDS HAVING PHOTOCHROMIC PROPERTIES TRANSITIONS OPTICAL INC (US) 2017-04-19 EP disclosed
US-9309455-B2 Indeno-fused ring compounds TRANSITIONS OPTICAL, INC. (US) 2016-04-12 US disclosed
US-9309455-B2 Indeno-fused ring compounds TRANSITIONS OPTICAL, INC. (US) 2016-04-12 US disclosed
EP-2652552-B9 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-02-17 EP disclosed
EP-2652552-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2015-09-02 EP disclosed
US-20140166948-A1 INDENO-FUSED RING COMPOUNDS TRANSITIONS OPTICAL LIMITED (IE) 2014-06-19 US disclosed
US-20140166948-A1 INDENO-FUSED RING COMPOUNDS TRANSITIONS OPTICAL LIMITED (IE) 2014-06-19 US disclosed
EP-2652552-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2013-10-23 EP disclosed
US-8545984-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US disclosed
WO-2012082299-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 WO disclosed
US-20120126185-A1 INDENO-FUSED RING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2012-05-24 US disclosed
US-20120126185-A1 INDENO-FUSED RING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2012-05-24 US disclosed
US-20110140056-A1 Indeno-fused ring compounds TRANSITIONS OPTICAL, INC. (US) 2011-06-16 US disclosed
US-20110140056-A1 Indeno-fused ring compounds TRANSITIONS OPTICAL, INC. (US) 2011-06-16 US disclosed
US-20110129678-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-02 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 (3 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-20110140056-A1 Indeno-fused ring compounds CRY2, SQOR, INTS6 ABCC1 3242/4885MCHR1 3285/4885ALDH1A1 498/4885
US-20110129678-A1 Photochromic compounds and compositions CRY2, CRY1, PPOX ABCC1 2009/4885MCHR1 2392/4885ALDH1A1 1243/4885
US-20120126185-A1 INDENO-FUSED RING COMPOUNDS CRY2, SQOR, INTS6 ABCC1 3242/4885MCHR1 3285/4885ALDH1A1 498/4885

“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.