SCHEMBL91459

SCHEMBL91459

COc1cc(C)ccc1N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
CYP3A4 P08684 4/20 0.68
TDP1 Q9NUW8 5/20 0.64
HSD17B10 Q99714 2/20 0.64
TSHR P16473 1/20 0.64
ACHE P22303 2/20 0.62
ALOX15 P16050 2/20 0.54
TP53 P04637 1/20 0.54
THRB P10828 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HTT P42858 1/20 0.52
GAA P10253 2/20 0.50
APP P05067 2/20 0.50
ADRA2B P18089 1/20 0.50
PTGS1 P23219 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 1/20 0.46

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
SCHEMBL30294328 1.00 ALDH1A1 (0.68) ALDH1A1CYP3A4TDP1HSD17B10TSHR
SCHEMBL29495045 0.81 ALDH1A1 (1.00) ALDH1A1CYP3A4TDP1HSD17B10TSHR
SCHEMBL55544 0.81 ALDH1A1 (1.00) ALDH1A1CYP3A4TDP1HSD17B10TSHR
SCHEMBL5583756 0.80 ALDH1A1 (0.63) ALDH1A1CYP3A4TDP1HSD17B10TSHR
Acetoacetic Acid SCHEMBL11802765 0.80 ALDH1A1 (0.46) ALDH1A1CYP3A4TDP1HSD17B10TSHR
SCHEMBL22925858 0.80 ACHE (0.60) ALDH1A1CYP3A4TDP1HSD17B10TSHR
Hydrochloric Acid SCHEMBL10706930 0.79 ALDH1A1 (0.95) ALDH1A1CYP3A4TDP1HSD17B10ACHE
SCHEMBL29130888 0.79 CYP3A4 (0.52) ALDH1A1CYP3A4TDP1HSD17B10TSHR
SCHEMBL14493632 0.79 CYP3A4 (0.52) ALDH1A1CYP3A4TDP1HSD17B10TSHR
SCHEMBL1340582 0.78 ALDH1A1 (0.49) ALDH1A1CYP3A4TDP1HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249091-B2 Post-treated sulfurized salt of an alkyl-substituted hydroxyaromatic composition CHEVRON ORONITE COMPANY LLC (US) 2016-02-02 US claimed
US-20130165359-A1 POST-TREATED SULFURIZED SALT OF AN ALKYL-SUBSTITUTED HYDROXYAROMATIC COMPOSITION CHEVRON ORONITE COMPANY LLC (US) 2013-06-27 US 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
EP-3568399-B1 AZIRIDINE SPINOSYN DERIVATIVES AND METHODS OF MAKING AGRIMETIS LLC (US) 2026-04-22 EP disclosed
US-20250339406-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2025-11-06 US disclosed
US-12364688-B2 NSD family inhibitors and methods of treatment therewith THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2025-07-22 US disclosed
US-20250179045-A1 LPAR1 ANTAGONISTS AND USES THEREOF CONTINEUM THERAPEUTICS, INC. 2025-06-05 US disclosed
CN-111471046-B Carbazole indole quinone derivative and preparation method and application thereof 中国科学院成都有机化学有限公司 2024-04-05 CN disclosed
CN-114621118-B Lignin-based diphenylmethane diisocyanate and application thereof in preparation of polyurethane material 南京工业大学 2023-12-01 CN disclosed
CN-115650861-B Application of lignin-based polyurethane chain extender in preparation of polyurethane material 南京工业大学 2023-11-24 CN disclosed
US-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors KSQ Therapeutics, Inc. (US) 2023-10-17 US disclosed
EP-0054616-A2 Cationic triazine dyestuffs, their preparation and process of dying BAYER AG (DE) 1982-06-30 EP disclosed
US-4118384-A DIAZOTIZATION BAYER AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed
US-RE29724-E NYLON, WITH AN ANTHRAQUINONE DYE CONTAINING CYCLIC ANHYDRIDE (FORMING) GROUPS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-08-08 US disclosed
US-4097475-A FOR POLYESTERS AND BLENDS WITH CELLULOSE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-06-27 US disclosed
US-4087444-A Amides as ovulation inhibitors ELI LILLY AND COMPANY (US) 1978-05-02 US disclosed
US-4035350-A Process for the preparation of water-soluble azo dyestuffs by reacting an aromatic amine and a coupling component with alkali metal nitrite or alkyl nitrite in the absence of acid HOECHST AKTIENGESELLSCHAFT (DT) 1977-07-12 US disclosed
US-4002424-A SOLUBILITY AND SUBSTANTIVITY E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-01-11 US disclosed
US-3978091-A FUNGICIDES, INSECTICIDES, NEMATOCIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JA) 1976-08-31 US disclosed
US-3971741-A DISPERSION PIGMENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 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 (5 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-12364688-B2 NSD family inhibitors and methods of treatment therewith NSD3, NSD2, NSD1 ALDH1A1 3591/4885CYP3A4 3981/4885TDP1 1117/4885
US-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors USP1, UPP1, USP2 ALDH1A1 598/4885CYP3A4 982/4885TDP1 217/4885
US-20250179045-A1 LPAR1 ANTAGONISTS AND USES THEREOF LPAR1, LPAR2, LPAR3 ALDH1A1 1523/4885CYP3A4 4412/4885TDP1 3301/4885
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 ALDH1A1 814/4885CYP3A4 2118/4885TDP1 1379/4885
US-20250339406-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH NSD3, NSD2, NSD1 ALDH1A1 3591/4885CYP3A4 3981/4885TDP1 1117/4885

“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.