SCHEMBL2017036

SCHEMBL2017036

CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)Nc4ccc(-c5cc(O)c6c(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 15)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.33
CXCR2 P25025 1/20 0.33
TP53 P04637 1/20 0.32
ALK Q9UM73 1/20 0.32
CTNNB1 P35222 1/20 0.31
TCF7L2 Q9NQB0 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
P2RY14 Q15391 1/20 0.30
DGAT1 O75907 1/20 0.30
TRPA1 O75762 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
SCHEMBL12573766 1.00 CXCR1 (0.33) CXCR1CXCR2TP53ALKCTNNB1
SCHEMBL15280006 0.94 CXCR1 (0.33) CXCR1CXCR2TP53ALKCTNNB1
SCHEMBL12573763 0.94 CXCR1 (0.33) CXCR1CXCR2TP53ALKCTNNB1
SCHEMBL1333834 0.94 ALK (0.33) CXCR1CXCR2TP53ALKCTNNB1
SCHEMBL12573772 0.94 ALK (0.33) CXCR1CXCR2TP53ALKCTNNB1
SCHEMBL12573736 0.94 ALK (0.33) CXCR1CXCR2TP53ALKCTNNB1
SCHEMBL3697608 0.91 TRPA1 (0.32) CXCR1CXCR2TP53ALKCTNNB1
SCHEMBL1333767 0.90 CTNNB1 (0.32) CTNNB1TCF7L2MAPTP2RY14TRPA1
SCHEMBL12634202 0.90 CTNNB1 (0.32) CTNNB1TCF7L2MAPTP2RY14TRPA1
SCHEMBL29910223 0.90 PLG (0.35) MEN1KMT2ARAB9AP2RY14DGAT1

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 4 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 disclosed
EP-2652552-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2015-09-02 EP disclosed
US-8545984-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-10-01 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 CXCR1 2866/4885CXCR2 1904/4885TP53 956/4885

“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.