SCHEMBL1009625

SCHEMBL1009625

COC(=O)c1ccc2c(c1)C(C)(C)c1c3c(c4cc(OC)c(OC)cc4c1-2)OC(c1ccccc1)(c1ccc(N2CCOCC2)cc1)C=C3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.38
MAPT P10636 7/20 0.38
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 4/20 0.38
PKM P14618 2/20 0.38
HIF1A Q16665 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
HCRTR1 O43613 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HPGD P15428 2/20 0.34
STK10 O94804 1/20 0.34
SLK Q9H2G2 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL1009484 0.95 HIF1A (0.38) MAPTKMT2AALDH1A1MEN1PKM
SCHEMBL25844451 0.90 ALK (0.33) MAPTKMT2AALDH1A1MEN1PKM
SCHEMBL3707410 0.89 HIF1A (0.34) MAPTKMT2AALDH1A1MEN1PKM
SCHEMBL1045266 0.89 STK10 (0.35) MAPTKMT2AALDH1A1MEN1PKM
SCHEMBL29453309 0.89 STK10 (0.35) MAPTKMT2AALDH1A1MEN1PKM
SCHEMBL25605055 0.88 STK10 (0.36) MAPTKMT2AALDH1A1MEN1PKM
SCHEMBL25605286 0.88 RAF1 (0.33) MAPTKMT2AALDH1A1MEN1HIF1A
SCHEMBL25849618 0.87 ALK (0.42)
SCHEMBL25844447 0.86 ALK (0.34) MAPTKMT2AALDH1A1MEN1PKM
SCHEMBL1186030 0.85 PRKDC (0.36) MAPTKMT2AALDH1A1MEN1SMN1; SMN2

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 10 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 claimed
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 claimed
JP-2008537762-A 2008-09-25 JP claimed
JP-2008535971-A 2008-09-04 JP claimed
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 claimed
EP-1869140-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS Johnson and Johnson Vision Care, Inc. (US) 2007-12-26 EP claimed
WO-2006110513-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS JOHNSON & JOHNSON VISION CARE, INC. (US) 2006-10-19 WO claimed
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 claimed
US-20060226402-A1 Ophthalmic devices comprising photochromic materials having extended PI-conjugated systems KIM BEON-KYU 2006-10-12 US claimed
US-20060228557-A1 Photochromic materials having extended pi-conjugated systems and compositions and articles including the same TRANSITIONS OPTICAL, INC. 2006-10-12 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 MRGPRX4 4802/4885MAPT 2724/4885KMT2A 1342/4885

“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.