SCHEMBL1963611

SCHEMBL1963611

CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)Nc4ccc(-c5ccc6c7c(c8c(c6c5)-c5ccc(C(F)(F)F)cc5C8(C)C)C=CC(c5ccc(OC)cc5)(c5ccc(OCCCC)cc5)O7)c(C)c4)cc3)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.34
RAF1 P04049 5/20 0.33
BRAF P15056 3/20 0.33
SMO Q99835 1/20 0.33
MCHR1 Q99705 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
PLAT P00750 1/20 0.32
PPARD Q03181 3/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
MGAT2 Q10469 2/20 0.31
CCR2 P41597 1/20 0.31

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
SCHEMBL12581582 1.00 ALK (0.34) ALKRAF1BRAFSMOMCHR1
SCHEMBL21681684 0.96 PLG (0.35) ALKRAF1BRAFSMOMCHR1
SCHEMBL21681698 0.95 PLG (0.36) ALKRAF1BRAFMCHR1MEN1
SCHEMBL15524683 0.91 TP53 (0.32) MEN1KMT2ASMN1; SMN2TP53KDM4E
SCHEMBL12573753 0.89 MCHR1 (0.35) ALKRAF1BRAFSMOMCHR1
SCHEMBL1334077 0.89 MCHR1 (0.35) ALKRAF1BRAFSMOMCHR1
SCHEMBL2016514 0.89 MCHR1 (0.35) ALKRAF1BRAFSMOMCHR1
SCHEMBL29910185 0.89 MCHR1 (0.35) ALKRAF1BRAFSMOMCHR1
SCHEMBL21704833 0.89 MCHR1 (0.32) ALKRAF1BRAFSMOMCHR1
SCHEMBL21704835 0.88 RAF1 (0.31) ALKRAF1BRAFMCHR1SMN1; 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 14 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-2895897-B1 A PHOTOCHROMIC ARTICLE HAVING TWO AT LEAST PARTIALLY CROSSED PHOTOCHROMIC-DICHROIC LAYERS TRANSITIONS OPTICAL INC (US) 2020-03-25 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
EP-2969468-A1 METHOD OF PREPARING PHOTOCHROMIC-DICHROIC FILMS HAVING REDUCED OPTICAL DISTORTION Transitions Optical, Inc. (US) 2016-01-20 EP disclosed
WO-2014158874-A1 METHOD OF PREPARING PHOTOCHROMIC-DICHROIC FILMS HAVING REDUCED OPTICAL DISTORTION TRANSITIONS OPTICAL, INC. (US) 2014-10-02 WO disclosed
US-20140265010-A1 METHOD OF PREPARING PHOTOCHROMIC-DICHROIC FILMS HAVING REDUCED OPTICAL DISTORTION TRANSITIONS OPTICAL LIMITED (IE) 2014-09-18 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-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-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 ALK 3357/4885RAF1 3521/4885BRAF 2643/4885

“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.