SCHEMBL1333834

SCHEMBL1333834

CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)Nc4ccc(-c5ccc6c(c5)-c5c(c7c(c8cc(C(F)(F)F)ccc58)OC(c5ccc(F)cc5)(c5ccc(OCCCC)cc5)C=C7)C6(C)C)cc4)cc3)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.33
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32
TP53 P04637 1/20 0.32
TRPA1 O75762 1/20 0.32
P2RY14 Q15391 1/20 0.32
MGAT2 Q10469 1/20 0.32
MCHR1 Q99705 3/20 0.31
CTNNB1 P35222 1/20 0.31
TCF7L2 Q9NQB0 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PLG P00747 1/20 0.31
PLAU P00749 1/20 0.31
PLAT P00750 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DGAT1 O75907 3/20 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
SCHEMBL12573772 1.00 ALK (0.33) ALKCXCR1CXCR2TP53TRPA1
SCHEMBL12573736 1.00 ALK (0.33) ALKCXCR1CXCR2TP53TRPA1
SCHEMBL3697608 0.96 TRPA1 (0.32) ALKCXCR1CXCR2TP53TRPA1
SCHEMBL1334089 0.96 TRPA1 (0.34) TRPA1P2RY14MCHR1CTNNB1TCF7L2
SCHEMBL2016514 0.96 MCHR1 (0.35) ALKTP53P2RY14MGAT2MCHR1
SCHEMBL12573753 0.96 MCHR1 (0.35) ALKTP53P2RY14MGAT2MCHR1
SCHEMBL29910185 0.96 MCHR1 (0.35) ALKTP53P2RY14MGAT2MCHR1
SCHEMBL1334077 0.96 MCHR1 (0.35) ALKTP53P2RY14MGAT2MCHR1
SCHEMBL17059995 0.96 MGAT2 (0.34) ALKTP53P2RY14MGAT2MCHR1
SCHEMBL9968517 0.94 MEN1 (0.32) ALKTRPA1MGAT2MEN1KMT2A

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 20 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-2718755-B1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL INC (US) 2024-05-29 EP disclosed
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-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-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-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 ALK 3229/4885CXCR1 2866/4885CXCR2 1904/4885

“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.