SCHEMBL672015

SCHEMBL672015

COc1ccc(C)c(S)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
ACHE P22303 2/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2A6 P11509 1/20 0.43
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 5/20 0.40
HSD17B10 Q99714 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
GFER P55789 1/20 0.40
TUBB1 Q9H4B7 1/20 0.39
AXL P30530 1/20 0.39

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
SCHEMBL32675289 1.00 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL2911817 0.81 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL13066221 0.80 CA1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL83318 0.77 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL29352597 0.77 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL440122 0.76 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL29758335 0.76 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL28492020 0.76 CYP1A2 (0.44) ACHECYP1A2CYP2A6ALDH1A1KDM4E
SCHEMBL29096230 0.75 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL6259011 0.74 CA12 (0.43) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9528979-B2 Breath analysis of pulmonary nodules TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2016-12-27 US claimed
US-20130150261-A1 BREATH ANALYSIS OF PULMONARY NODULES TEL HASHOMER MEDICAL RESEARCH, INFRASTRUCTURE AND SERVICES LTD. (IL) 2013-06-13 US claimed
US-7332623-B2 Aryl-substituted acyclic enediyne compounds KAOHSIUNG MEDICAL UNIVERSITY (TW) 2008-02-19 US claimed
US-7211668-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2007-05-01 US claimed
US-20050004212-A1 Aryl-substituted acyclic enediyne compounds KAOHSIUNG MEDICAL UNIVERSITY 2005-01-06 US claimed
US-20050004211-A1 Pharmaceutical compositions comprising aryl-substituted acyclic enediyne compounds KAOHSIUNG MEDICAL UNIVERSITY 2005-01-06 US claimed
US-5290911-A Forming polymers by catalytic oxidative coupling RESEARCH INSTITUTE FOR PRODUCTION DEVELOPMENT (JP) 1994-03-01 US claimed
US-20240389906-A1 NON-INVASIVE MONITORING SYSTEM AERBETIC INC (US) 2024-11-28 US disclosed
US-12036020-B2 Non-invasive monitoring system AERBETIC, INC. (US) 2024-07-16 US disclosed
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
US-20220007972-A1 NON-INVASIVE MONITORING SYSTEM AERBETIC, INC. (US) 2022-01-13 US disclosed
EP-3889135-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES Merck Patent GmbH (DE) 2021-10-06 EP disclosed
EP-3675873-A1 FUNCTIONALIZED AND CROSSLINKED POLYMERS PMIDG, LLC (US) 2020-07-08 EP disclosed
EP-0617036-A2 Novel 2-thiosubstituted carbapenems AMERICAN CYANAMID COMPANY (US) 1994-09-28 EP disclosed
US-5290911-A Forming polymers by catalytic oxidative coupling RESEARCH INSTITUTE FOR PRODUCTION DEVELOPMENT (JP) 1994-03-01 US disclosed
US-5153305-A From diaryl disulfide; mild conditions using organometallic catalyst RESEARCH INSTITUTE FOR PRODUCTION DEVELOPMENT (JP) 1992-10-06 US disclosed
US-4983720-A Process for preparing a polyarylene thioether IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1991-01-08 US disclosed
EP-0402481-A1 PRODUCTION OF POLYARYLENE THIOETHER RESEARCH INSTITUTE FOR PRODUCTION DEVELOPMENT (JP) 1990-12-19 EP disclosed
US-4931542-A Process for preparing a polyarylene thioether IDEMITSU PETROCHEMICAL COMPANY, LIMITED (JP) 1990-06-05 US disclosed
EP-0281036-A2 A process for preparing a polyarylene thioether IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1988-09-07 EP 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 (3 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-20050004211-A1 Pharmaceutical compositions comprising aryl-substituted acyclic enediyne compounds CCNI, TOP1, TOP2B CA12 1888/4885CA1 2271/4885CA2 918/4885
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CA12 4761/4885CA1 4833/4885CA2 4689/4885
US-20050004212-A1 Aryl-substituted acyclic enediyne compounds CCNI, TOP2B, TOP2A CA12 3857/4885CA1 3376/4885CA2 1030/4885

“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.