SCHEMBL8733235

SCHEMBL8733235

COc1cccc(C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.44
CA1 P00915 4/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA12 O43570 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA4 P22748 1/20 0.44
ALDH1A1 P00352 4/20 0.40
TP53 P04637 3/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 2/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
GABRA1 P14867 1/20 0.38

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
SCHEMBL3438872 0.86 CA1 (0.52) CA2CA1CA7CA9CA12
SCHEMBL14112614 0.86 AR (0.42) CA2CA1CA7CA9CA12
SCHEMBL28905579 0.84 CA2 (0.44) CA2ALDH1A1KDM4EMAPTALOX12
SCHEMBL4336477 0.81 CA2 (0.41) CA2ALDH1A1KDM4EMAPTALOX12
SCHEMBL28426083 0.81 CA2 (0.41) CA2ALDH1A1KDM4EMAPTALOX12
SCHEMBL28427116 0.80 CA2 (0.38) CA2ALDH1A1HSD17B10GABRA1GABRB2
SCHEMBL142899 0.79 CA2 (0.57) CA2CA1CA7CA9CA12
SCHEMBL29771456 0.79 CA2 (0.57) CA2CA1CA7CA9CA12
SCHEMBL303584 0.79 CA2 (0.40) CA2ALDH1A1TP53KDM4EMAPT
SCHEMBL1889316 0.79 CA2 (0.40) CA2ALDH1A1TP53KDM4EMAPT

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108815174-A A kind of modified form fat-soluble compositions and preparation method thereof 昆山普瑞凯纳米技术有限公司 2018-11-16 CN disclosed
CN-207898025-U Combination vamp and outsole for footwear product 耐克创新有限合伙公司 2018-09-25 CN disclosed
CN-108056532-A Knitted textile and shoe upper and manufacturing method thereof 耐克创新有限合伙公司 2018-05-22 CN disclosed
EP-3221436-A1 METHOD FOR PRODUCING CATIONIC SURFACTANT Kao Corporation (JP) 2017-09-27 EP disclosed
WO-2016080194-A1 METHOD FOR PRODUCING CATIONIC SURFACTANT KAO CORPORATION (JP) 2016-05-26 WO disclosed
EP-2490291-B1 LITHIUM SECONDARY BATTERY, AND NON-AQUEOUS ELECTROLYTIC SOLUTION FOR USE IN THE LITHIUM SECONDARY BATTERY UBE INDUSTRIES (JP) 2014-12-03 EP disclosed
EP-2490291-A1 LITHIUM SECONDARY BATTERY, AND NON-AQUEOUS ELECTROLYTIC SOLUTION FOR USE IN THE LITHIUM SECONDARY BATTERY Ube Industries, Ltd. (JP) 2012-08-22 EP disclosed
US-20120183846-A1 LITHIUM SECONDARY BATTERY, AND NON-AQUEOUS ELECTROLYTIC SOLUTION FOR USE IN THE LITHIUM SECONDARY BATTERY UBE INDUSTRIES, LTD. (JP) 2012-07-19 US disclosed
US-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-01-22 US disclosed
EP-0530861-B1 Topical antimicrobial pharmaceutical compositions KABARA JON JOSEPH (US) 1998-09-09 EP disclosed
EP-0243145-B1 TOPICAL ANTIMICROBIAL PHARMACEUTICAL COMPOSITIONS Kabara, Jon Joseph (US) 1993-07-14 EP disclosed
US-5208257-A Treatment of skin parasites or microorganisms with glycerol monoester of lauric acid and fatty acids and carriers KABARA JON J (US) 1993-05-04 US disclosed
EP-0530861-A2 Topical antimicrobial pharmaceutical compositions Kabara, Jon Joseph (US) 1993-03-10 EP disclosed
EP-0244144-A1 Antimicrobial preservative compositions Kabara, Jon Joseph (US) 1987-11-04 EP disclosed
EP-0243145-A2 Topical antimicrobial pharmaceutical compositions Kabara, Jon Joseph (US) 1987-10-28 EP disclosed
US-4375566-A Process for producing ortho-alkylated phenols from anisoles MITSUI TOATSU CHEMICALS, INC. (JP) 1983-03-01 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-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry F3, TBCA, GYPA CA2 592/4885CA1 2113/4885CA7 551/4885

“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.