SCHEMBL9973050

SCHEMBL9973050

CC(=O)Oc1ccc(C(=O)Oc2ccc(C3CCC(C)CC3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
ELANE P08246 1/20 0.44
HSD17B10 Q99714 2/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 1/20 0.42
ESR1 P03372 1/20 0.42
PGR P06401 1/20 0.42
CHRM2 P08172 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
AR P10275 1/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PARP10 Q53GL7 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL11416224 1.00 ESR2 (0.46) ESR2ELANEHSD17B10MAPTSMN1; SMN2
SCHEMBL18635922 0.94 ESR2 (0.51) ESR2HSD17B10MAPTSMN1; SMN2ALDH1A1
SCHEMBL14877967 0.91 ESR2 (0.55) ESR2ELANEHSD17B10MAPTSMN1; SMN2
SCHEMBL2741101 0.89 PRSS1 (0.49) ESR2MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL13038164 0.89 MAPT (0.54) ESR2MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL11416082 0.89 MAPT (0.54) ESR2MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL17881849 0.89 ESR2 (0.63) ESR2ELANEHSD17B10MAPTSMN1; SMN2
SCHEMBL11405816 0.89 PRSS1 (0.49) ESR2MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL15181114 0.87 KMT2A (0.46) ESR2HSD17B10MAPTSMN1; SMN2ALDH1A1
SCHEMBL15382242 0.87 MAPT (0.55) ELANEHSD17B10MAPTSMN1; SMN2ALDH1A1

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
US-20180051037-A1 Photochromic Thienochromene Compounds TRANSITIONS OPTICAL, INC. 2018-02-22 US disclosed
US-9630902-B2 Method of preparing fused ring indeno compounds TRANSITIONS OPTICAL, INC. (US) 2017-04-25 US disclosed
US-20160209561-A1 Photochromic Articles That Include Photochromic-Dichroic Materials TRANSITIONS OPTICAL, INC. 2016-07-21 US disclosed
EP-3045971-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2016-07-20 EP disclosed
US-20160060205-A1 Method Of Preparing Fused Ring Indeno Compounds TRANSITIONS OPTICAL, INC. 2016-03-03 US disclosed
US-9206151-B2 Method of preparing fused ring indeno compounds TRANSITIONS OPTICAL, INC. (US) 2015-12-08 US disclosed
US-20150141662-A1 Method Of Preparing Fused Ring Indeno Compounds TRANSITIONS OPTICAL, INC. (US) 2015-05-21 US disclosed
US-20150141661-A1 Photochromic Indeno-Fused Ring Pyran Compounds TRANSITIONS OPTICAL, INC. (US) 2015-05-21 US disclosed
US-20150141663-A1 Fused Ring Indeno Compounds For Preparation Of Photochromic Compounds TRANSITIONS OPTICAL, INC. (US) 2015-05-21 US disclosed
US-8582192-B2 Polarizing photochromic articles TRANSITIONS OPTICAL, INC. (US) 2013-11-12 US disclosed
US-8518546-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-08-27 US 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-20110279883-A1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL, INC. (US) 2011-11-17 US disclosed
US-20110143141-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-16 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 (6 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 ESR2 2689/4885ELANE 3628/4885HSD17B10 1421/4885
US-20150141662-A1 Method Of Preparing Fused Ring Indeno Compounds INHA, INTS9, CA9 ESR2 2593/4885ELANE 1528/4885HSD17B10 356/4885
US-20150141663-A1 Fused Ring Indeno Compounds For Preparation Of Photochromic Compounds IPO5, INCENP, NQO1 ESR2 3339/4885ELANE 3355/4885HSD17B10 1424/4885
US-20160060205-A1 Method Of Preparing Fused Ring Indeno Compounds INHA, INTS9, CA9 ESR2 2593/4885ELANE 1528/4885HSD17B10 356/4885
US-20150141661-A1 Photochromic Indeno-Fused Ring Pyran Compounds INF2, INCENP, RB1 ESR2 2386/4885ELANE 3243/4885HSD17B10 2512/4885
US-20180051037-A1 Photochromic Thienochromene Compounds CRY1, CRY2, TERT ESR2 2748/4885ELANE 2796/4885HSD17B10 602/4885

“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.