SCHEMBL1961589

SCHEMBL1961589

COc1cc2c(OC(C)=O)cc3c(c2cc1OC)-c1ccccc1C3=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFSF11 O14788 1/20 0.50
PGAM1 P18669 2/20 0.47
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TTR P02766 2/20 0.46
KDM4E B2RXH2 2/20 0.46
USP2 O75604 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
ABCC4 O15439 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CHRM2 P08172 1/20 0.46
HSP90AB1 P08238 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46

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
SCHEMBL1010933 0.87 HTT (0.51) TNFSF11PGAM1MAPTMEN1KMT2A
SCHEMBL6632513 0.87 BACE1 (0.48) TNFSF11PGAM1MAPTMEN1KMT2A
SCHEMBL1011142 0.86 TTR (0.48) TNFSF11PGAM1MAPTMEN1KMT2A
SCHEMBL2023599 0.80 KMT2A (0.53) PGAM1MAPTMEN1KMT2AKDM4E
SCHEMBL6503595 0.78 TTR (0.44) TNFSF11PGAM1MAPTMEN1KMT2A
SCHEMBL5024477 0.76 PDE4A (0.50) TNFSF11PGAM1MAPTMEN1KMT2A
SCHEMBL3723343 0.76 ELANE (0.58) PGAM1MAPTMEN1KMT2ATTR
SCHEMBL1813938 0.75 BACE1 (0.47) MAPTTTRKDM4EALDH1A1SMN1; SMN2
SCHEMBL6760398 0.75 MAPT (0.63) MAPTMEN1KMT2AKDM4EUSP2
SCHEMBL26187355 0.72 ELANE (0.69) PGAM1MAPTMEN1KMT2ATTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776436-B1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL INC (US) 2019-05-08 EP disclosed
EP-3045971-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2016-07-20 EP disclosed
EP-2652553-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-04-06 EP disclosed
EP-2652553-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2013-10-23 EP disclosed
US-8518546-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-08-27 US disclosed
WO-2012082383-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 WO disclosed
US-20110143141-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-16 US disclosed
EP-2021841-A1 PHOTOCHROMIC MATERIALS COMPRISING HALOALKYL GROUPS TRANSITIONS OPTICAL, INC. (US) 2009-02-11 EP disclosed
US-7465415-B2 Photochromic materials derived from ring-opening monomers and photochromic initiators PPG INDUSTRIES OHIO, INC. (US) 2008-12-16 US disclosed
WO-2007140071-A1 PHOTOCHROMIC MATERIALS COMPRISING HALOALKYL GROUPS TRANSITIONS OPTICAL, INC. (US) 2007-12-06 WO disclosed
US-20070278461-A1 PHOTOCHROMIC MATERIALS COMPRISING HALOALKYL GROUPS TRANSITIONS OPTICAL, INC. (US) 2007-12-06 US disclosed
EP-1776436-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2007-04-25 EP disclosed
WO-2006022825-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2006-03-02 WO disclosed
US-20060022176-A1 Reaction product of a ring-opening cyclic ester or carbonate and a photochromic initiator, especially a naphtho[1,2-b]quinone with one or more hydroxy groups, e.g., (1) 3,3-di(4-methoxyphenyl)-6,7-dimethoxy-13-methyl-13-(2-(2-hydroxyethoxy)ethoxy)-3H,13H-indeno[2,1-f]naphtho[1,2-b]pyran. TRANSITIONS OPTICAL LIMITED (IE) 2006-02-02 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 (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-20110143141-A1 Photochromic compounds and compositions CCNA1, CRY1, CCNT1 TNFSF11 4541/4885PGAM1 3927/4885MAPT 785/4885
US-20070278461-A1 PHOTOCHROMIC MATERIALS COMPRISING HALOALKYL GROUPS TELO2, EYA3, CRY2 TNFSF11 4874/4885PGAM1 4172/4885MAPT 1954/4885

“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.