SCHEMBL1965327

SCHEMBL1965327

COc1cc2c3c(c4c(c2cc1O)-c1cc(C(F)(F)F)cc(C(F)(F)F)c1C4(C)C)C=CC(c1ccccc1)(c1ccc(N2CCOCC2)cc1)O3

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.34
BRAF P15056 2/20 0.34
PTK2 Q05397 4/20 0.34
MAPK10 P53779 2/20 0.34
MAPK9 P45984 1/20 0.34
ULK1 O75385 1/20 0.32
SLC6A9 P48067 4/20 0.32
EGFR P00533 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL23572585 0.89 SLC6A9 (0.32) SLC6A9
SCHEMBL30146794 0.89 SLC6A9 (0.32) SLC6A9
SCHEMBL9962599 0.88 RAF1 (0.33) RAF1BRAFPTK2MAPK10MAPK9
SCHEMBL9929600 0.88 PTK2 (0.35) RAF1BRAFPTK2MAPK10MAPK9
SCHEMBL29664057 0.88 PTK2 (0.35) RAF1BRAFPTK2MAPK10MAPK9
SCHEMBL1963554 0.86
SCHEMBL1964070 0.86
SCHEMBL25605286 0.84 RAF1 (0.33) RAF1BRAFPTK2ULK1ALDH1A1
SCHEMBL21585210 0.84 SLC6A9 (0.31) SLC6A9
SCHEMBL25716498 0.82 TNIK (0.35) RAF1BRAFULK1ALDH1A1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3045971-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2016-07-20 EP disclosed
EP-2652553-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-04-06 EP disclosed
EP-2652553-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2013-10-23 EP 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-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 (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-20110143141-A1 Photochromic compounds and compositions CCNA1, CRY1, CCNT1 RAF1 3521/4885BRAF 2643/4885PTK2 4327/4885

“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.