SCHEMBL1186953

SCHEMBL1186953

COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c4c(c5cc(N6CCCCC6)c(OC)cc5c3O2)-c2ccc(-c3ccccc3)cc2C4(C)C)cc1

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HBB P68871 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
HTT P42858 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL18099435 0.97 USP2 (0.32) MEN1KMT2AUSP2ALDH1A1CYP1A2
SCHEMBL18091463 0.95 AKT1 (0.33) MEN1KMT2AUSP2ALDH1A1CYP1A2
SCHEMBL25606356 0.94 PRKDC (0.35) MEN1KMT2AUSP2ALDH1A1CYP1A2
SCHEMBL13988310 0.92 SLC6A3 (0.31)
SCHEMBL1186032 0.92 ALDH1A1 (0.32) ALDH1A1
SCHEMBL18099433 0.90 KCNH2 (0.31)
SCHEMBL1189076 0.90 PDK2 (0.33) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1007779 0.90 PDK2 (0.33) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1188243 0.90 ALDH1A1 (0.31) ALDH1A1
SCHEMBL18099439 0.89 HCRTR1 (0.32) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3071401-B9 METHOD OF FORMING A PHOTOCHROMIC SEGMENTED MULTIFOCAL LENS TRANSITIONS OPTICAL INC (US) 2018-03-14 EP disclosed
EP-3071401-B1 METHOD OF FORMING A PHOTOCHROMIC SEGMENTED MULTIFOCAL LENS TRANSITIONS OPTICAL INC (US) 2017-09-20 EP disclosed
US-9465234-B2 Photochromic materials having extended pi-conjugated systems and compositions and articles including the same JOHNSON & JOHNSON VISION CARE, INC. (US) 2016-10-11 US disclosed
US-20150301357-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME JOHNSON & JOHNSON VISION CARE (US) 2015-10-22 US disclosed
US-9097916-B2 Photochromic materials having extended pi-conjugated systems and compositions and articles including the same JOHNSON & JOHNSON VISION CARE, INC. (US) 2015-08-04 US disclosed
US-20140225049-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME JOHNSON & JOHNSON VISION CARE, INC. (US) 2014-08-14 US disclosed
US-8741188-B2 Ophthalmic devices comprising photochromic materials having extended pi-conjugated systems JOHNSON & JOHNSON VISION CARE, INC. (US) 2014-06-03 US disclosed
US-20130065056-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME JOHNSON & JOHNSON VISION CARE, INC. 2013-03-14 US disclosed
US-8388872-B2 Photochromic materials having extended pi-conjugated systems and compositions and articles including the same TRANSITIONS OPTICAL, INC. (US) 2013-03-05 US disclosed
US-20120145975-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL, INC. (US) 2012-06-14 US disclosed
US-8158037-B2 Photochromic materials having extended pi-conjugated systems and compositions and articles including the same JOHNSON & JOHNSON VISION CARE, INC. (US) 2012-04-17 US disclosed
US-8147725-B2 Photochromic materials having extended pi-conjugated systems and compositions and articles including the same TRANSITIONS OPTICAL, INC (US) 2012-04-03 US disclosed
US-20110042629-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL, INC. (US) 2011-02-24 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-20120145975-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME IPO4, INTS6, INCENP MEN1 3668/4885KMT2A 2530/4885USP2 4566/4885
US-20130065056-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME INCENP, INTS6, IPO4 MEN1 3642/4885KMT2A 2760/4885USP2 4621/4885
US-20110042629-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME IPO4, INCENP, IPO11 MEN1 3880/4885KMT2A 2187/4885USP2 4568/4885

“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.