SCHEMBL1009643

SCHEMBL1009643

COc1ccc2c(c1)C(C)(C)c1c3c(c4cc(OC)ccc4c1-2)OC(c1ccccc1)(c1ccc(OCCO)cc1)C=C3

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 16/20 0.35
MEN1 O00255 2/20 0.31
LMNA P02545 2/20 0.31
TSHR P16473 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDK2 Q15119 1/20 0.31
PLIN1 O60240 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
RECQL P46063 1/20 0.31
PLIN5 Q00G26 1/20 0.31

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
SCHEMBL1009814 0.95 FFAR1 (0.33) ALK
SCHEMBL3704719 0.95 MEN1 (0.31) ALKMEN1LMNATSHRKMT2A
SCHEMBL30708919 0.95 MEN1 (0.31) ALKMEN1LMNATSHRKMT2A
SCHEMBL1009637 0.95 ALK (0.32) ALKKDM4EMAPT
SCHEMBL8510608 0.93 MEN1 (0.32) ALKMEN1LMNATSHRKMT2A
SCHEMBL6400994 0.91 ALK (0.32) ALKMEN1LMNATSHRKMT2A
SCHEMBL13988246 0.91 ALK (0.40) ALKPDK2
SCHEMBL25529849 0.91 KDM4E (0.35) MEN1LMNATSHRKMT2AKDM4E
SCHEMBL1009670 0.91 KDM4E (0.36) ALKMEN1LMNATSHRKMT2A
SCHEMBL1823143 0.89 ALK (0.35) ALKPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1872173-B9 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL INC (US) 2011-01-05 EP disclosed
EP-1872173-B1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL INC (US) 2010-04-14 EP disclosed
US-20090032782-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL, INC. (US) 2009-02-05 US disclosed
US-7465415-B2 Photochromic materials derived from ring-opening monomers and photochromic initiators PPG INDUSTRIES OHIO, INC. (US) 2008-12-16 US disclosed
US-7465415-B2 Photochromic materials derived from ring-opening monomers and photochromic initiators PPG INDUSTRIES OHIO, INC. (US) 2008-12-16 US disclosed
EP-1872173-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL, INC. (US) 2008-01-02 EP disclosed
WO-2006110221-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL, INC. (US) 2006-10-19 WO disclosed
US-20060228557-A1 Photochromic materials having extended pi-conjugated systems and compositions and articles including the same TRANSITIONS OPTICAL, INC. 2006-10-12 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-20060228557-A1 Photochromic materials having extended pi-conjugated systems and compositions and articles including the same INCENP, PCNA, INTS6 ALK 2838/4885MEN1 3210/4885LMNA 404/4885
US-20090032782-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME INTS6, INCENP, PCNA ALK 2537/4885MEN1 2922/4885LMNA 352/4885

“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.