SCHEMBL655455

SCHEMBL655455

COc1c(C)cc(N)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TSHR P16473 1/20 0.43
DHFR P00374 1/20 0.41
ACHE P22303 1/20 0.40
PDE10A Q9Y233 1/20 0.37
CYP19A1 P11511 2/20 0.36
NQO2 P16083 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36

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
Hydrochloric Acid SCHEMBL8931696 0.97 ALDH1A1 (0.41) ALDH1A1TSHRDHFRACHEPDE10A
SCHEMBL2025462 0.87 CASP1 (0.41) ALDH1A1TSHRDHFRACHEPDE10A
SCHEMBL6977792 0.85 ACHE (0.50) ALDH1A1TSHRACHECYP19A1NQO2
Hydrochloric Acid SCHEMBL5484796 0.85 CASP1 (0.39) ALDH1A1TSHRDHFRACHECYP19A1
SCHEMBL28956704 0.84 TDP1 (0.48) ALDH1A1TSHRPDE10ATDP1CYP3A4
SCHEMBL14300196 0.84 CA2 (0.45) ALDH1A1TSHRACHENQO2
SCHEMBL15492307 0.84 ALDH1A1 (0.35) ALDH1A1TSHRDHFRACHEPDE10A
SCHEMBL2103590 0.84 CYP3A4 (0.45) ALDH1A1TSHRACHETUBB4ATUBB
SCHEMBL25968421 0.80 ALDH1A1 (0.45) ALDH1A1TSHRACHEPDE10ATDP1
SCHEMBL21558308 0.79 ALDH1A1 (0.39) ALDH1A1TSHRTUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118955264-A Method for preparing p-benzoquinone compound by oxidizing aniline compound 浙江大学 2024-11-15 CN claimed
CN-117164745-A Composite material for microporous membrane, composite ion exchange membrane and application of composite material 国家电投集团氢能科技发展有限公司 2023-12-05 CN claimed
CN-117126311-A Polymer, composite, ion exchange membrane and preparation method and application thereof 国家电投集团氢能科技发展有限公司 2023-11-28 CN claimed
CN-116808842-B Modified microporous membrane, composite ion exchange membrane, and preparation methods and applications thereof 国家电投集团氢能科技发展有限公司 2023-10-27 CN claimed
CN-116808842-A Modified microporous membrane, composite ion exchange membrane, and preparation methods and applications thereof 国家电投集团氢能科技发展有限公司 2023-09-29 CN claimed
CN-113135922-B Azepane [4,3,2-cd ] isoindol-2-one derivatives and application thereof 中国药科大学 2023-05-30 CN claimed
CN-111377923-B Pyrido [3',2':6,7] azepino [4,3,2-cd ] isoindolone derivative and application thereof 中国药科大学 2023-02-24 CN claimed
CN-113135922-A Azacycloheptane [4,3,2-cd ] isoindol-2-one derivatives and application thereof 中国药科大学 2021-07-20 CN claimed
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO claimed
US-12509417-B2 Enantioselective process SYNGENTA CROP PROTECTION AG (CH) 2025-12-30 US disclosed
US-12344571-B1 Organic color center-tailored, semiconducting carbon nanotubes and their method of manufacture UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2025-07-01 US disclosed
CN-118955264-A Method for preparing p-benzoquinone compound by oxidizing aniline compound 浙江大学 2024-11-15 CN disclosed
CN-113195460-B Enantioselective process 先正达农作物保护股份公司 2024-07-19 CN disclosed
CN-117164745-A Composite material for microporous membrane, composite ion exchange membrane and application of composite material 国家电投集团氢能科技发展有限公司 2023-12-05 CN disclosed
EP-0412529-A1 Imidazole derivatives, process for the preparation of the same and antiulcer agents containing the same NIPPON CHEMIPHAR CO., LTD. (JP) 1991-02-13 EP disclosed
US-4828568-A N-(2,4-DIHYDROXYBENZYLIDENE)AMINO COMPOUNDS AS PRIMARY COUPLERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1989-05-09 US disclosed
EP-0270972-A2 Oxidation hair dye compositions Henkel Kommanditgesellschaft auf Aktien (DE) 1988-06-15 EP disclosed
EP-0204215-A1 2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-benzenamines G.D. Searle & Co. (US) 1986-12-10 EP disclosed
US-4625062-A Process for producing 4-alkoxyanilines MITSUI TOATSU CHEMICALS, INC. (JP) 1986-11-25 US disclosed
EP-0017727-A1 Polysubstituted diazatricyclic derivatives, processes for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1980-10-29 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 (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-12509417-B2 Enantioselective process HCCS, AOC3, CYP8B1 ALDH1A1 137/4885TSHR 2717/4885DHFR 4103/4885
US-12344571-B1 Organic color center-tailored, semiconducting carbon nanotubes and their method of manufacture NOS1, NOS3, NOS2 ALDH1A1 754/4885TSHR 4597/4885DHFR 3116/4885

“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.