SCHEMBL1711142

SCHEMBL1711142

COc1cc2c(cc1OC)C(C)(C)c1cc(O)c3ccccc3c1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.45
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
PARP1 P09874 1/20 0.35
PTPN1 P18031 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35

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
SCHEMBL6818231 0.87 PARP1 (0.37) EP300CA1CA2PARP1PTPN1
SCHEMBL18352309 0.82 TRPM4 (0.39) EP300CA1TP53KMT2AGAA
SCHEMBL15895856 0.82 IDO1 (0.40) EP300CA1CA2CA4CA6
SCHEMBL1812200 0.82 PDK2 (0.48) EP300PTPN1HSP90AA1LMNA
SCHEMBL9898722 0.81 CYP1A1 (0.47) EP300HSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL1711096 0.81 PRKDC (0.40) TP53TSHRGAAL3MBTL1LMNA
SCHEMBL30125362 0.80 PDK2 (0.40) EP300CA1CA2TP53TSHR
SCHEMBL165110 0.80 PDK2 (0.40) EP300CA1CA2TP53TSHR
SCHEMBL18352478 0.79 IDO1 (0.38) EP300CA1CA2CA4CA6
SCHEMBL12859979 0.79 HTT (0.45) EP300CA1TP53KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606274-B9 INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS, NAPHTHOLS AND PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL INC (US) 2019-01-16 EP disclosed
EP-1606274-B1 INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS, NAPHTHOLS AND PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL INC (US) 2018-08-08 EP disclosed
EP-2345648-B1 Indeno-fused photochromic naphthopyrans, naphthols and photochromic articles TRANSITIONS OPTICAL INC (US) 2012-10-24 EP disclosed
EP-2345648-A1 Indeno-fused photochromic naphthopyrans, naphthols and photochromic articles TRANSITIONS OPTICAL, INC. (US) 2011-07-20 EP disclosed
EP-2345647-A2 Indeno-fused photochromic naphthopyrans, naphthols and photochromic articles TRANSITIONS OPTICAL, INC. (US) 2011-07-20 EP disclosed
US-7557208-B2 Naphthols useful for preparing indeno-fused photochromic naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2009-07-07 US disclosed
US-7517982-B2 Naphthols useful for preparing indeno-fused photochromic naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2009-04-14 US disclosed
US-20090062533-A1 NAPHTHOLS USEFUL FOR PREPARING INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2009-03-05 US disclosed
US-7262295-B2 Indeno-fused photochromic naphthopyrans, naphthols and photochromic articles TRANSITIONS OPTICAL, INC. (US) 2007-08-28 US disclosed
US-20070155964-A1 Naphthols useful for preparing indeno-fused photochromic naphthopyrans TRANSITIONS OPTICAL LIMITED (IE) 2007-07-05 US disclosed
US-20040185255-A1 Indeno-fused photochromic naphthopyrans, naphthols and photochromic articles TRANSITIONS OPTICAL LIMITED (IE) 2004-09-23 US disclosed
EP-1214311-B1 NOVEL INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2004-09-15 EP disclosed
US-6296785-B1 OPHTHALMIC AND CONTACT LENSES; WINDOWS, SAFETY GLASS FOR CARS PPG INDUSTRIES OHIO, INC. 2001-10-02 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 (3 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-20040185255-A1 Indeno-fused photochromic naphthopyrans, naphthols and photochromic articles IPO4, NPM1, PPOX EP300 2707/4885CA1 4169/4885CA2 3585/4885
US-20070155964-A1 Naphthols useful for preparing indeno-fused photochromic naphthopyrans IPO5, IPO4, NQO1 EP300 2170/4885CA1 4785/4885CA2 4751/4885
US-20090062533-A1 NAPHTHOLS USEFUL FOR PREPARING INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS IPO5, IPO4, NQO1 EP300 2170/4885CA1 4785/4885CA2 4751/4885

“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.