SCHEMBL1333746

SCHEMBL1333746

CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)Nc4ccc(-c5ccc6c(c5)-c5c(c7c(c8c(F)ccc(F)c58)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 18)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.33
CXCR2 P25025 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RAB9A P51151 1/20 0.32
DGAT1 O75907 2/20 0.32
NR1H4 Q96RI1 2/20 0.31
NPC1 O15118 1/20 0.31
MCHR1 Q99705 2/20 0.31
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9967382 1.00 CXCR1 (0.33) CXCR1CXCR2TP53MAPTMEN1
SCHEMBL12573772 0.90 ALK (0.33) CXCR1CXCR2TP53MAPTMEN1
SCHEMBL12573736 0.90 ALK (0.33) CXCR1CXCR2TP53MAPTMEN1
SCHEMBL1333834 0.90 ALK (0.33) CXCR1CXCR2TP53MAPTMEN1
SCHEMBL29910222 0.87 MGAT2 (0.33) MEN1KMT2ARAB9ADGAT1MCHR1
SCHEMBL29910207 0.87 MGAT2 (0.33) MEN1KMT2ARAB9ADGAT1MCHR1
SCHEMBL12573695 0.87 MGAT2 (0.33) MEN1KMT2ARAB9ADGAT1MCHR1
SCHEMBL1333836 0.87 MGAT2 (0.33) MEN1KMT2ARAB9ADGAT1MCHR1
SCHEMBL1332390 0.87 MGAT2 (0.33) MEN1KMT2ARAB9ADGAT1MCHR1
SCHEMBL3697608 0.86 TRPA1 (0.32) CXCR1CXCR2TP53MAPTMEN1

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 26 patents — showing the first 20. 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-2969468-A1 METHOD OF PREPARING PHOTOCHROMIC-DICHROIC FILMS HAVING REDUCED OPTICAL DISTORTION Transitions Optical, Inc. (US) 2016-01-20 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
EP-2652552-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2013-10-23 EP 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-20120157677-A1 LACTONE COMPOUNDS AND MATERIALS MADE THEREFROM TRANSITIONS OPTICAL INC. (US) 2012-06-21 US disclosed
WO-2012082299-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 WO 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 (2 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-20120157677-A1 LACTONE COMPOUNDS AND MATERIALS MADE THEREFROM LSS, DCXR, NISCH CXCR1 3599/4885CXCR2 2969/4885TP53 167/4885
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.