SCHEMBL1001144

SCHEMBL1001144

COc1ccc([I+]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.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([I+]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
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 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
KDM1A O60341 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
SCHEMBL1001143 1.00 CA4 (0.41) CA4LTA4HTRPA1TP53KMT2A
SCHEMBL2579597 1.00 CA4 (0.41) CA4LTA4HTRPA1TP53KMT2A
SCHEMBL132586 0.84
SCHEMBL757330 0.83 CA4 (0.50) CA4LTA4HTRPA1TP53ALDH1A1
SCHEMBL10456836 0.83 CA4 (0.50) CA4LTA4HTRPA1TP53ALDH1A1
Hydrogen Sulfide SCHEMBL30375675 0.82
SCHEMBL126675 0.82 CA4 (0.59) CA4LTA4HTRPA1TP53ALDH1A1
SCHEMBL1155415 0.81 ACHE (0.34) NPC1RAB9ALMNATDP1RELA
Bromide SCHEMBL4851524 0.80 CA4 (0.56) CA4LTA4HTRPA1TP53ALDH1A1
Water SCHEMBL8070408 0.80 CA4 (0.56) CA4LTA4HTRPA1TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160011349-A1 INFRARED REFLECTING FILM AND LAMINATED FILM JNC PETROCHEMICAL CORPORATION (JP) 2016-01-14 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-20080241431-A1 Polymerizable liquid crystal composition CHISSO CORPORATION 2008-10-02 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-20070190344-A1 Verification of translation JNC CORPORATION (JP) 2007-08-16 US disclosed
US-20070128379-A1 Homeotropically aligned liquid crystal film and process for producing the same JNC PETROCHEMICAL CORPORATION (JP) 2007-06-07 US disclosed
US-7101595-B2 Photo-curable fluorene derivative and composition containing the same CHISSO CORPORATION (JP) 2006-09-05 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.