SCHEMBL1334065

SCHEMBL1334065

CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)Nc4ccc(-c5cc6c(cc5C)C(C)(C)c5c7c(c8cc(C(F)(F)F)ccc8c5-6)OC(c5ccc(F)cc5)(c5ccc(N6CCCCC6)cc5)C=C7)cc4)cc3)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FGFR1 P11362 3/20 0.32
DDR2 Q16832 3/20 0.32
MAPK14 Q16539 2/20 0.32
RAF1 P04049 2/20 0.32
HSPB1 P04792 1/20 0.32
LYN P07948 1/20 0.32
P2RY14 Q15391 1/20 0.32
HTR2A P28223 2/20 0.32
DRD3 P35462 2/20 0.32
CCR2 P41597 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
CCR5 P51681 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
SCHEMBL12634399 1.00 NPC1 (0.34) NPC1TP53ALOX15MAPK1HTT
SCHEMBL29910190 1.00 NPC1 (0.34) NPC1TP53ALOX15MAPK1HTT
SCHEMBL1961267 0.95 NPC1 (0.34) NPC1TP53ALOX15MAPK1HTT
SCHEMBL12573693 0.95 NPC1 (0.34) NPC1TP53ALOX15MAPK1HTT
SCHEMBL9973113 0.95 NPC1 (0.34) NPC1TP53ALOX15MAPK1HTT
SCHEMBL1962387 0.92 FGFR1 (0.33) NPC1TP53ALOX15MAPK1HTT
SCHEMBL12581569 0.92 FGFR1 (0.33) NPC1TP53ALOX15MAPK1HTT
SCHEMBL12553495 0.91 NPC1 (0.34) NPC1TP53ALOX15MAPK1HTT
SCHEMBL2015558 0.90 FGFR1 (0.34) SMN1; SMN2FGFR1DDR2RAF1P2RY14
SCHEMBL12634342 0.90 FGFR1 (0.34) SMN1; SMN2FGFR1DDR2RAF1P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2652552-B9 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-02-17 EP claimed
EP-2652552-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2015-09-02 EP claimed
US-8545984-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US claimed
US-20110129678-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-02 US claimed
EP-2895897-B1 A PHOTOCHROMIC ARTICLE HAVING TWO AT LEAST PARTIALLY CROSSED PHOTOCHROMIC-DICHROIC LAYERS TRANSITIONS OPTICAL INC (US) 2020-03-25 EP 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
US-20140265010-A1 METHOD OF PREPARING PHOTOCHROMIC-DICHROIC FILMS HAVING REDUCED OPTICAL DISTORTION TRANSITIONS OPTICAL LIMITED (IE) 2014-09-18 US disclosed
US-8649081-B1 Photochromic article having two at least partially crossed photochromic-dichroic layers TRANSITIONS OPTICAL, INC. (US) 2014-02-11 US disclosed
US-8582192-B2 Polarizing photochromic articles TRANSITIONS OPTICAL, INC. (US) 2013-11-12 US disclosed
US-8545984-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US disclosed
US-8545015-B2 Polarizing photochromic articles TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US disclosed
US-20120120473-A1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL, INC. (US) 2012-05-17 US disclosed
US-20110279883-A1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL, INC. (US) 2011-11-17 US 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 NPC1 1896/4885TP53 956/4885ALOX15 346/4885

“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.