SCHEMBL722895

SCHEMBL722895

c1ccc2c(c1)cc1c3ccccc3c3occcc3c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 5/20 0.39
HIF1A Q16665 2/20 0.39
CYP1B1 Q16678 1/20 0.39
KMT2A Q03164 5/20 0.36
POLB P06746 3/20 0.36
ESR1 P03372 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
TRPM4 Q8TD43 1/20 0.35
CYP1A2 P05177 2/20 0.34
HPGD P15428 2/20 0.34
THRB P10828 1/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 4/20 0.33
L3MBTL1 Q9Y468 4/20 0.32
TSHR P16473 2/20 0.32
ERBB2 P04626 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
SCHEMBL164352 0.94 ALDH1A1 (0.40) ALDH1A1HSD17B10HIF1ACYP1B1KMT2A
SCHEMBL29663893 0.94 ALDH1A1 (0.40) ALDH1A1HSD17B10HIF1ACYP1B1KMT2A
SCHEMBL29634291 0.93 ALDH1A1 (0.39) ALDH1A1HSD17B10HIF1ACYP1B1KMT2A
SCHEMBL160528 0.93 ALDH1A1 (0.39) ALDH1A1HSD17B10HIF1ACYP1B1KMT2A
SCHEMBL23803978 0.80 AHR (0.41) ALDH1A1HSD17B10KMT2APOLBESR1
SCHEMBL6201679 0.79 CYP1A2 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1KMT2A
SCHEMBL6206954 0.76 TNKS (0.37) ALDH1A1HSD17B10HIF1ACYP1B1KMT2A
SCHEMBL30476322 0.76 CYP1A2 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1KMT2A
SCHEMBL1309270 0.76 ALDH1A1 (0.50) ALDH1A1HSD17B10HIF1ACYP1B1KMT2A
SCHEMBL28763218 0.73 HPRT1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1KMT2A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2370420-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2011-10-05 EP claimed
WO-2010065393-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2010-06-10 WO claimed
US-20090309076-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2009-12-17 US claimed
US-20180291008-A1 Photochromic Compounds TRANSITIONS OPTICAL, INC. 2018-10-11 US disclosed
US-20180291007-A1 Photochromic Compounds TRANSITIONS OPTICAL, INC. 2018-10-11 US disclosed
US-20180291009-A1 Photochromic Compounds TRANSITIONS OPTICAL, INC. 2018-10-11 US disclosed
US-10005763-B2 Photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2018-06-26 US disclosed
US-10000472-B2 Photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2018-06-19 US disclosed
US-20160333262-A1 Photochromic Compounds TRANSITIONS OPTICAL, INC. 2016-11-17 US disclosed
US-20160332995-A1 Photochromic Comounds TRANSITIONS OPTICAL, INC. 2016-11-17 US disclosed
US-9405041-B2 Photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2016-08-02 US disclosed
US-8211338-B2 Photochromic compounds TRANSITIONS OPTICAL, INC (US) 2012-07-03 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-20120053341-A1 PHOTOCHROMIC MATERIALS THAT INCLUDE 6-AMINO SUBSTITUTED INDENO-FUSED NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2012-03-01 US disclosed
EP-2370420-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2011-10-05 EP disclosed
WO-2010065393-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2010-06-10 WO disclosed
US-20090309076-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2009-12-17 US disclosed
EP-1360183-B1 NOVEL PHOTOCHROMIC INDENONAPHTHOPYRAN COMPOUNDS TRANSITIONS OPTICAL INC (US) 2005-08-17 EP disclosed
US-6736998-B2 INDENONAPHTHOPYRAN COMPOUNDS WHEN EXPOSED TO LIGHT RADIATION CONTAINING ULTRAVIOLET RAYS EXHIBIT A REVERSIBLE CHANGE IN COLOR; LENSES AND OPHTHALMIC LENSES TRANSITIONS OPTICAL, INC. 2004-05-18 US disclosed
US-20030071247-A1 Novel indeno-fused photochromic naphthopyrans TRANSITIONS OPTICAL LIMITED (IE) 2003-04-17 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 (10 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-20180291007-A1 Photochromic Compounds CCR4, CCR8, CBR3 ALDH1A1 1805/4885HSD17B10 2051/4885HIF1A 3948/4885
US-20160332995-A1 Photochromic Comounds CCR4, CCR3, CCR8 ALDH1A1 1767/4885HSD17B10 1730/4885HIF1A 3583/4885
US-10005763-B2 Photochromic compounds CCR4, CCR8, CBR3 ALDH1A1 1782/4885HSD17B10 2023/4885HIF1A 3941/4885
US-20180291008-A1 Photochromic Compounds CCR4, CBR3, CCR8 ALDH1A1 1817/4885HSD17B10 1708/4885HIF1A 3772/4885
US-20120145975-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME IPO4, INTS6, INCENP ALDH1A1 1027/4885HSD17B10 2360/4885HIF1A 3771/4885
US-20160333262-A1 Photochromic Compounds CCR4, CCR8, CBR3 ALDH1A1 1782/4885HSD17B10 2023/4885HIF1A 3941/4885
US-20180291009-A1 Photochromic Compounds CCR4, CCR8, CBR3 ALDH1A1 1831/4885HSD17B10 2055/4885HIF1A 3980/4885
US-10000472-B2 Photochromic compounds CCR4, CCR8, CBR3 ALDH1A1 1782/4885HSD17B10 2023/4885HIF1A 3941/4885
US-20120053341-A1 PHOTOCHROMIC MATERIALS THAT INCLUDE 6-AMINO SUBSTITUTED INDENO-FUSED NAPHTHOPYRANS MITF, NPEPPS, GNE ALDH1A1 1282/4885HSD17B10 4576/4885HIF1A 2784/4885
US-20090309076-A1 PHOTOCHROMIC COMPOUNDS CCR4, CCR8, CBR3 ALDH1A1 1782/4885HSD17B10 2023/4885HIF1A 3941/4885

“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.