SCHEMBL1002707

SCHEMBL1002707

COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.41
LTA4H P09960 2/20 0.40
TRPA1 O75762 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CES2 O00748 1/20 0.35

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
SCHEMBL3144432 1.00 CA4 (0.41) CA4LTA4HTRPA1TP53KMT2A
SCHEMBL1002708 1.00 CA4 (0.41) CA4LTA4HTRPA1TP53KMT2A
SCHEMBL3130436 1.00 CA4 (0.41) CA4LTA4HTRPA1TP53KMT2A
SCHEMBL3128960 0.86 TSHR (0.38) CA4TP53KMT2ANPC1RAB9A
SCHEMBL10013052 0.86
SCHEMBL759758 0.84
SCHEMBL3139845 0.83 KIF11 (0.31)
SCHEMBL3137195 0.83 CA4 (0.50) CA4LTA4HTRPA1TP53NPC1
SCHEMBL758606 0.83 CA4 (0.50) CA4LTA4HTRPA1TP53NPC1
SCHEMBL4340775 0.82 CA4 (0.59) CA4LTA4HTRPA1NPC1RAB9A

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9057018-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, and polymer thereof JNC CORPORATION (JP) 2015-06-16 US disclosed
US-8455061-B2 Optically active compound having polymerizable group and its polymer JNC CORPORATION (JP) 2013-06-04 US disclosed
US-8419972-B2 Polymerizable liquid crystal composition JNC CORPORATION (JP) 2013-04-16 US disclosed
US-8420764-B2 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2013-04-16 US disclosed
US-8404316-B2 Polymerizable liquid crystal compound and its polymer JNC CORPORATION (JP) 2013-03-26 US disclosed
US-8366962-B2 Polymerizable liquid crystal compounds having oxiranyl group, polymerizable liquid crystal compositions and polymers JNC CORPORATION (JP) 2013-02-05 US disclosed
US-8354147-B2 Polymerizable liquid crystal compound, composition and polymer JNC CORPORATION (JP) 2013-01-15 US disclosed
US-8236917-B2 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2012-08-07 US disclosed
US-20120178894-A1 COMPOUND HAVING SILSESQUIOXANE SKELETON AND ITS POLYMER INAGAKI JYUN-ICHI (JP) 2012-07-12 US disclosed
US-20110240918-A1 OPTICALLY ACTIVE COMPOUND HAVING POLYMERIZABLE GROUP AND ITS POLYMER CHISSO CORPORATION (JP) 2011-10-06 US disclosed
US-7425354-B2 Photopolymerizable liquid crystal composition, its polymer or polymer composition, and optical compensation element CHISSO CORPORATION (JP) 2008-09-16 US disclosed
US-7407691-B2 Photopolymerizable oxetane derivative and liquid-crystal composition containing it CHISSO CORPORATION (JP) 2008-08-05 US disclosed
US-7381350-B2 Fluorene derivatives and polymers thereof CHISSO CORPORATION (JP) 2008-06-03 US disclosed
US-20070190344-A1 Verification of translation JNC CORPORATION (JP) 2007-08-16 US disclosed
US-7101595-B2 Photo-curable fluorene derivative and composition containing the same CHISSO CORPORATION (JP) 2006-09-05 US disclosed
US-20060006364-A1 Fluorene derivatives and polymers thereof CHISSO CORPORATION AND CHISSO PETROCHEMICAL CORPORATION 2006-01-12 US disclosed
US-20050224757-A1 Photopolymerizable oxetane derivative and liquid-crystal composition containing it JNC PETROCHEMICAL CORPORATION (JP) 2005-10-13 US disclosed
US-20050213009-A1 Photopolymerizable liquid crystal composition, its polymer or polymer composition, and optical compensation element JNC PETROCHEMICAL CORPORATION (JP) 2005-09-29 US disclosed
US-20050031801-A1 Photo-curable fluorene derivative and composition containing the same JNC PETROCHEMICAL CORPORATION (JP) 2005-02-10 US disclosed
US-20050009982-A1 Compound having silsesquioxane skeleton and its polymer CHISSO CORPORATION (JP) 2005-01-13 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-20050009982-A1 Compound having silsesquioxane skeleton and its polymer C1S, H1-4, H1-0 CA4 97/4885LTA4H 2546/4885TRPA1 117/4885
US-20050224757-A1 Photopolymerizable oxetane derivative and liquid-crystal composition containing it TAC3, CPNE4, CNPY3 CA4 263/4885LTA4H 318/4885TRPA1 653/4885

“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.