SCHEMBL2016489

SCHEMBL2016489

COc1ccc(C(=O)c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.63
RAB9A P51151 3/20 0.59
RXFP1 Q9HBX9 2/20 0.59
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
MAPK1 P28482 1/20 0.59
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HPGD P15428 1/20 0.59
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
NPC1 O15118 3/20 0.55
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
GRIN2B Q13224 1/20 0.54
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53

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
SCHEMBL4475347 0.90 NPC1 (0.60) VNN1RAB9AMAPTNPC1TRPV1
Hydrochloric Acid SCHEMBL3539826 0.88 NPC1 (0.58) VNN1RAB9ANPC1TRPV1EPHX2
SCHEMBL12473427 0.86 LMNA (0.60) VNN1RAB9ALMNAMAPTKMT2A
SCHEMBL9418310 0.84 RXFP1 (0.79) RAB9ARXFP1MEN1LMNAMAPT
SCHEMBL514500 0.84 CA1 (0.58) RAB9ALMNAMAPTMAPK1CA1
SCHEMBL51509 0.84 RXFP1 (0.79) RAB9ARXFP1MEN1LMNAMAPT
SCHEMBL5541822 0.83 ESR1 (0.58) VNN1RAB9ALMNAMAPTMAPK1
SCHEMBL4602009 0.83 ELANE (0.56) RAB9ANPC1ALDH1A1GAAGRIN2B
SCHEMBL22721360 0.83 EPHX2 (0.62) RAB9ANPC1ALDH1A1TRPV1EPHX2
SCHEMBL7929195 0.83 NPC1 (0.54) VNN1RAB9ANPC1GAATRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119823330-A Polyethylene glycol grafted poly (pentafluorophenyl) ester copolymer, functionalized copolymer and preparation method 华东理工大学 2025-04-15 CN disclosed
WO-2025041624-A1 PHOTOCHROMIC COMPOUND, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES 株式会社トクヤマ 2025-02-27 WO disclosed
EP-2652552-B9 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-02-17 EP disclosed
EP-2652552-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2015-09-02 EP disclosed
EP-2652552-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2013-10-23 EP disclosed
US-8545984-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US disclosed
WO-2012082299-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 WO disclosed
US-20110129678-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-02 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 (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-20110129678-A1 Photochromic compounds and compositions CRY2, CRY1, PPOX VNN1 852/4885RAB9A 2888/4885RXFP1 4811/4885

“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.