SCHEMBL113803

SCHEMBL113803

Cc1cc(C)c(N)cc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 1.00
TSHR P16473 3/20 1.00
MAPK1 P28482 1/20 1.00
ALDH1A1 P00352 8/20 0.57
CYP1A2 P05177 1/20 0.50
ALOX15 P16050 1/20 0.50
CASP7 P55210 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TERT O14746 1/20 0.48
TDP1 Q9NUW8 5/20 0.48
CASP1 P29466 1/20 0.48
CD44 P16070 1/20 0.48
UHRF1 Q96T88 1/20 0.43
ATAD2 Q6PL18 1/20 0.42
TP53 P04637 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
MAPT P10636 2/20 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
SCHEMBL33943 0.93 CYP3A4 (0.86) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL8640325 0.89 CYP3A4 (0.80) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL439013 0.89 CYP3A4 (0.80) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL8640327 0.89 CYP3A4 (0.80) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL31703327 0.86 CYP3A4 (0.75) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL29452873 0.86 CYP3A4 (0.75) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL2386087 0.86 CYP3A4 (0.75) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL29388988 0.85 CYP3A4 (0.73) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL121858 0.85 CYP3A4 (0.73) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
Ammonia Solution, Strong SCHEMBL8322764 0.81 CYP3A4 (0.69) CYP3A4TSHRMAPK1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119335105-A Method for determining azo dye and isocyanate harmful substances in textile 深圳市艾溹技术研究有限公司 2025-01-21 CN claimed
US-12195630-B2 Pigment ink dispersions, tattoo inks containing the pigment ink dispersions, and method of making the same BARTH MARIO (US) 2025-01-14 US claimed
EP-4479481-A1 PIGMENT INK DISPERSIONS, TATTOO INKS CONTAINING THE PIGMENT INK DISPERSIONS, AND METHOD OF MAKING THE SAME Intenze Products, Inc. (US) 2024-12-25 EP claimed
CN-119101521-A High-performance silicon oxide etching solution 湖北兴福电子材料股份有限公司 2024-12-10 CN claimed
CN-119032141-A Pigment ink dispersion, tattoo ink comprising the pigment ink dispersion and method for the production thereof 银单丝产品公司 2024-11-26 CN claimed
CN-118795068-A Method for efficiently and rapidly detecting 41 primary aromatic amine compounds in serum and application 中山大学 2024-10-18 CN claimed
CN-115851134-B High-precision silicon wafer polishing composition and application thereof 万华化学集团电子材料有限公司 2024-09-10 CN claimed
US-12071388-B2 Full continuous flow synthesis process of fluorine-containing aromatic hydrocarbon compounds Fujian Zhongxin Fluoride Material Gaobao Technology Co., Ltd. (CN) 2024-08-27 US claimed
CN-118050456-A Ultrasonic atomization-carbon fiber ionization mass spectrum detection method for aromatic amine 湖南中烟工业有限责任公司 2024-05-17 CN claimed
CN-114755316-B Method for screening dangerous substances in food contact material and application 广州质量监督检测研究院 2024-02-27 CN claimed
US-20130165359-A1 POST-TREATED SULFURIZED SALT OF AN ALKYL-SUBSTITUTED HYDROXYAROMATIC COMPOSITION CHEVRON ORONITE COMPANY LLC (US) 2013-06-27 US claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
US-7056986-B2 ethylene monomer can be a vinyl ketone, ether, ester, halide, nitrile, aromatic, or an allyl ether; acrylic monomer can be a mono- or diacid or monoester of a diacid; a monoamine, a guanidine compound, and an aromatic diamine; improved vulcanizability, balance between processability and compression set DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2006-06-06 US claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
CN-1258287-A Textile treatment method WOOL DEV INT (GB) 2000-06-28 CN claimed
WO-1995012585-A1 TEXTILE TREATMENT UNIVERSITY OF LEEDS (GB) 1995-05-11 WO claimed
EP-0012967-B1 (2,4,5-TRIMETHYLACETANILIDO) IMINODIACETATE, TECHNETIUM-99M-LABELLED (2,4,5-TRIMETHYLACETANILIDO)-IMINODIACETATE FOR DIAGNOSING THE FUNCTIONING OF THE LIVER AND PROCESSES FOR PREPARING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1983-12-28 EP claimed
US-4318898-A Technetium-99m-labelled (2,4,5-trimethylacetanilido)-iminodiacetate for liver function diagnosis, chloroacetric acid (2,4,5-trimethylanilide), (2,4,5-trimethylacetanilido)-iminodiacetate, and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1982-03-09 US claimed
EP-0012967-A2 (2,4,5-Trimethylacetanilido) iminodiacetate, Technetium-99m-labelled (2,4,5-trimethylacetanilido)-iminodiacetate for diagnosing the functioning of the liver and processes for preparing them HOECHST AKTIENGESELLSCHAFT (DE) 1980-07-09 EP claimed

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-12195630-B2 Pigment ink dispersions, tattoo inks containing the pigment ink dispersions, and method of making the same TYR, TH, COMT CYP3A4 283/4885TSHR 2985/4885MAPK1 1408/4885
US-20130165359-A1 POST-TREATED SULFURIZED SALT OF AN ALKYL-SUBSTITUTED HYDROXYAROMATIC COMPOSITION TST, PAH, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP3A4 2118/4885TSHR 4066/4885MAPK1 968/4885
US-12071388-B2 Full continuous flow synthesis process of fluorine-containing aromatic hydrocarbon compounds AHR, FGFR2, FGFR1 CYP3A4 866/4885TSHR 517/4885MAPK1 1214/4885

“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.