SCHEMBL2937093

SCHEMBL2937093

COc1cc(C(=O)Cl)cc(OC)c1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
PKM P14618 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA3 P07451 1/20 0.41
CA5A P35218 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
LMNA P02545 1/20 0.41
TPMT P51580 2/20 0.40
KMT2A Q03164 3/20 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
SCHEMBL4576605 0.82 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL917818 0.81 MAPT (0.50) CA12CA1CA2CA7CA9
SCHEMBL4576891 0.81 CA12 (0.41) CA12CA1CA2CA4CA6
SCHEMBL11855711 0.78 CYP3A4 (0.45) CA12CA1CA2CA4CA6
SCHEMBL219096 0.78 TUBB4A (0.55) CYP3A4TSHRLMNATPMTKMT2A
SCHEMBL28275397 0.78 TUBB4A (0.55) CYP3A4TSHRLMNATPMTKMT2A
SCHEMBL987150 0.78 LMNA (0.45) CA12CA1CA2CA4CA6
SCHEMBL11789059 0.78 PKM (0.67) CA12CA1CA2CA4CA6
SCHEMBL668639 0.78 RXFP1 (0.56) CA12CA1CA2CA4CA6
SCHEMBL4576407 0.77 MAPK1 (0.39) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122029153-A Aromatic hydrocarbon receptor modulator compound, and preparation method and application thereof 德明药泰生物技术(深圳)有限公司 2026-05-12 CN disclosed
WO-2025082312-A1 AROMATIC HYDROCARBON RECEPTOR MODULATOR COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 德明药泰生物技术(深圳)有限公司 2025-04-24 WO disclosed
WO-2025043084-A2 METHODS OF PREPARING TAPINAROF AND RELATED COMPOUNDS TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2025-02-27 WO disclosed
CN-117447402-A Aromatic hydrocarbon receptor modulator compound, and preparation method and application thereof 德明药泰生物技术(深圳)有限公司 2024-01-26 CN disclosed
US-9051330-B2 Dithiolopyrrolones with therapeutic activity WELICHEM BIOTECH INC. (CA) 2015-06-09 US disclosed
EP-2076519-B1 NOVEL DITHIOLOPYRROLONES AND THEIR THERAPEUTICAL APPLICATIONS CELESTIAL PHARMACEUTICALS SHENZHEN LTD (CN) 2014-01-15 EP disclosed
US-8071637-B2 Dithiolopyrrolones compounds and their therapeutic applications WELICHEM BIOTECH INC. (CA) 2011-12-06 US disclosed
EP-1490374-B1 DITHIOLOPYRROLONE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISEASES WELICHEM BIOTECH INC (CA) 2010-09-22 EP disclosed
US-20100041729-A1 DITHIOLOPYRROLONES COMPOUNDS AND THEIR THERAPEUTIC APPLICATIONS CELESTIAL PHARMACEUTICALS (SHENZHEN) LTD. (CN) 2010-02-18 US disclosed
EP-2076519-A2 NOVEL DITHIOLOPYRROLONES AND THEIR THERAPEUTICAL APPLICATIONS Celestial Pharmaceuticals (Shenzhen) LTD. (CN) 2009-07-08 EP disclosed
WO-2008038175-A2 DITHIOLOPYRROLONES COMPOUNDS AND THEIR THERAPEUTIC APPLICATIONS CELESTIAL PHARMACEUTICALS (SHENZHEN) LTD. (CN) 2008-04-03 WO disclosed
US-20060074125-A1 Novel dithiolopyrrolones with therapeutic activity WELICHEM BIOTECH INC. (CA) 2006-04-06 US disclosed
EP-1490374-A2 DITHIOLOPYRROLONE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISEASES Welichem Biotech Inc. (CA) 2004-12-29 EP disclosed
WO-2003080624-A2 DITHIOLOPYRROLONE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISEASES WELICHEM BIOTECH INC. (CA) 2003-10-02 WO 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-20100041729-A1 DITHIOLOPYRROLONES COMPOUNDS AND THEIR THERAPEUTIC APPLICATIONS CD4, NDUFS3, TXN2 CA12 2868/4885CA1 3067/4885CA2 2653/4885
US-20060074125-A1 Novel dithiolopyrrolones with therapeutic activity TP53, DTYMK, MKI67 CA12 3197/4885CA1 4079/4885CA2 2805/4885

“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.