SCHEMBL1961825

SCHEMBL1961825

CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)Nc4ccc(-c5cc6c7c(c8c(c6cc5C)OC(c5ccc(O)cc5)(c5ccc(O)cc5)C=C8)C(C)(C)c5cc(C(F)(F)F)ccc5-7)cc4)cc3)cc2)CC1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.32
P2RY14 Q15391 1/20 0.32
MAPK14 Q16539 5/20 0.31
RAF1 P04049 3/20 0.31
LDLR P01130 1/20 0.31
BRAF P15056 2/20 0.31
DEGS1 O15121 1/20 0.31
HSPB1 P04792 1/20 0.31
EPHA3 P29320 1/20 0.30
FRK P42685 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
SCHEMBL9973124 1.00 MCHR1 (0.32) MCHR1P2RY14MAPK14RAF1LDLR
SCHEMBL12553497 0.94 MAPK14 (0.33) MAPK14LDLRDEGS1HSPB1
SCHEMBL1961267 0.91 NPC1 (0.34) MCHR1P2RY14MAPK14RAF1BRAF
SCHEMBL9973113 0.91 NPC1 (0.34) MCHR1P2RY14MAPK14RAF1BRAF
SCHEMBL1333734 0.90 P2RY14 (0.34) MCHR1P2RY14DEGS1
SCHEMBL12573785 0.90 P2RY14 (0.34) MCHR1P2RY14DEGS1
SCHEMBL21681684 0.86 PLG (0.35) MCHR1P2RY14MAPK14RAF1BRAF
SCHEMBL12634399 0.86 NPC1 (0.34) P2RY14MAPK14RAF1BRAFHSPB1
SCHEMBL1334065 0.86 NPC1 (0.34) P2RY14MAPK14RAF1BRAFHSPB1
SCHEMBL29910190 0.86 NPC1 (0.34) P2RY14MAPK14RAF1BRAFHSPB1

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-2718754-B1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL INC (US) 2024-01-24 EP disclosed
EP-2969499-B1 METHOD OF PREPARING PHOTOCHROMIC-DICHROIC FILMS HAVING REDUCED OPTICAL DISTORTION TRANSITIONS OPTICAL INC (US) 2021-12-08 EP disclosed
EP-2969468-B1 METHOD OF PREPARING PHOTOCHROMIC-DICHROIC FILMS HAVING REDUCED OPTICAL DISTORTION TRANSITIONS OPTICAL INC (US) 2020-12-23 EP disclosed
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
US-9030740-B2 Photochromic article having at least partially crossed polarized photochromic-dichroic and fixed-polarized layers TRANSITIONS OPTICAL, INC. (US) 2015-05-12 US disclosed
US-20140264979-A1 METHOD OF PREPARING PHOTOCHROMIC-DICHROIC FILMS HAVING REDUCED OPTICAL DISTORTION TRANSITIONS OPTICAL LIMITED (IE) 2014-09-18 US disclosed
US-20140078583-A1 Photochromic Article Having At Least Partially Crossed Polarized Photochromic-Dichroic And Fixed-Polarized Layers TRANSITIONS OPTICAL, INC. (US) 2014-03-20 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-8545015-B2 Polarizing photochromic articles TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US disclosed
US-8518546-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-08-27 US disclosed
US-20120120473-A1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL, INC. (US) 2012-05-17 US 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 MCHR1 371/4885P2RY14 3514/4885MAPK14 2870/4885

“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.