SCHEMBL1334049

SCHEMBL1334049

CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)Nc4ccc(-c5cc(Br)c6c(c5)-c5c(c7c(c8cc(C(F)(F)F)ccc58)OC(c5ccc(OC)cc5)(c5ccc(OC)cc5)C=C7)C6(C)C)cc4)cc3)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
PLAT P00750 1/20 0.34
MGAT2 Q10469 2/20 0.32
CCR2 P41597 1/20 0.32
KCNH2 Q12809 1/20 0.32
DGAT1 O75907 1/20 0.32
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
RAF1 P04049 1/20 0.31
BRAF P15056 1/20 0.31
GCGR P47871 1/20 0.31
GIPR P48546 1/20 0.31
SMO Q99835 1/20 0.31
P2RY14 Q15391 1/20 0.31
MCHR1 Q99705 3/20 0.31
NR1I2 O75469 2/20 0.31
IDO1 P14902 2/20 0.31
ABCG2 Q9UNQ0 2/20 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
SCHEMBL12573714 1.00 PLG (0.34) PLGPLAUPLATMGAT2CCR2
SCHEMBL29910200 1.00 PLG (0.34) PLGPLAUPLATMGAT2CCR2
SCHEMBL1333590 0.96 PLG (0.35) PLGPLAUPLATMGAT2CCR2
SCHEMBL29910223 0.96 PLG (0.35) PLGPLAUPLATMGAT2CCR2
SCHEMBL1333767 0.94 CTNNB1 (0.32) P2RY14MCHR1
SCHEMBL12634202 0.94 CTNNB1 (0.32) P2RY14MCHR1
SCHEMBL12573763 0.94 CXCR1 (0.33) MEN1RAB9AKMT2AP2RY14
SCHEMBL15280006 0.94 CXCR1 (0.33) MEN1RAB9AKMT2AP2RY14
SCHEMBL12634201 0.94 PLG (0.34) PLGPLAUPLATMGAT2CCR2
SCHEMBL12573697 0.93 EPHX2 (0.33) PLGPLAUPLATMGAT2DGAT1

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 17 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-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-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-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-8545015-B2 Polarizing photochromic articles TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US disclosed
US-8545984-B2 Photochromic compounds and compositions 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 PLG 2275/4885PLAU 4632/4885PLAT 4145/4885

“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.