SCHEMBL512987

SCHEMBL512987

CC(C)(C)[CH]c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
MAOB P27338 1/20 0.41
CYP2A6 P11509 1/20 0.41
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2C19 P33261 1/20 0.39
EGFR P00533 1/20 0.38
CHAT P28329 2/20 0.37
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
RELA Q04206 1/20 0.36
AKR1C3 P42330 1/20 0.36
TRPA1 O75762 1/20 0.36
GLA P06280 1/20 0.36
NFE2L2 Q16236 1/20 0.35

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
SCHEMBL9247757 0.85 ALDH1A1 (0.43) ALDH1A1LMNAL3MBTL1MAPK1TDP1
SCHEMBL6319705 0.84 ALDH1A1 (0.32) ALDH1A1CYP2A6
SCHEMBL17629414 0.78 CYP2C19 (0.41) ALDH1A1TSHRMAOBCYP2A6LMNA
SCHEMBL3032334 0.78 ALDH1A1 (0.43) ALDH1A1TSHRMAOBCYP2A6LMNA
SCHEMBL6130600 0.78 CYP2C19 (0.41) ALDH1A1TSHRMAOBCYP2A6LMNA
SCHEMBL17331000 0.78 ALDH1A1 (0.38) ALDH1A1TSHRMAOBCYP2A6LMNA
SCHEMBL11880041 0.76 MAPK1 (0.42) ALDH1A1TSHRMAOBCYP2A6CYP2C19
SCHEMBL14910046 0.76 MAPK1 (0.42) ALDH1A1TSHRMAOBCYP2A6CYP2C19
SCHEMBL2928194 0.74 CYP2A6 (0.48) TSHRCYP2A6L3MBTL1TDP1RELA
SCHEMBL10519823 0.74 RELA (0.36) ALDH1A1TSHRMAOBCYP2A6LMNA

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 1864 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109866-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2024-04-04 US claimed
EP-4192982-A2 COMPOSITIONS AND METHODS FOR THE DETECTION OF SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS 2 (SARS-2), INFLUENZA A, AND INFLUENZA B F. Hoffmann-La Roche AG (CH) 2023-06-14 EP claimed
US-20230072538-A1 METHOD OF MANUFACTURING A SEMICONDUCTOR DEVICE AND PATTERN FORMATION METHOD TAIWAN SEMICONDUCTOR MANUFACTURING COMPANY, LTD. (TW) 2023-03-09 US claimed
CN-113998707-B Super-macroporous IRR structure silicate molecular sieve material and preparation method thereof 南京大学 2022-12-27 CN claimed
US-20220354949-A1 NOVEL COMPOUNDS Xeniopro GmbH (DE) 2022-11-10 US claimed
US-20220042117-A1 COMPOSITIONS AND METHODS FOR THE SIMULTANEOUS DETECTION OF INFLUENZA A, INFLUENZA B, AND SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS 2 (SARS-CoV-2) ROCHE MOLECULAR SYSTEMS, INC. 2022-02-10 US claimed
CN-113874375-A Cyclic amide compounds and methods thereof for the treatment of rabies 株式会社大分大学先端医学研究所 2021-12-31 CN claimed
WO-2021199037-A1 METHODS OF DETERMINING ACTIVITY OF ACTIVATED PROTEIN C TEL HASHOMER MEDICAL RESEARCH INFRASTRUCTURE AND SERVICES LTD. (IL) 2021-10-07 WO claimed
EP-3840834-A2 AROMATIC MOLECULES FOR USE IN THE TREATMENT OF PATHOLOGICAL CONDITIONS Xeniopro GmbH (DE) 2021-06-30 EP claimed
EP-3802500-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2021-04-14 EP claimed
US-4968676-A PLANTS, SOILS, SEEDS BASF AKTIENGESELLSCHAFT (DE) 1990-11-06 US claimed
US-4897425-A Fungicidal cyclohexylamines BASF AKTIENGESELLSCHAFT (DE) 1990-01-30 US claimed
US-4885283-A Phosphinic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1989-12-05 US claimed
EP-0301873-A2 2'-deoxy-5-fluorouridine derivatives TAIHO PHARMACEUTICAL CO., LTD. (JP) 1989-02-01 EP claimed
US-4751073-A SUNSCREENS OLIN CORPORATION (US) 1988-06-14 US claimed
EP-0133323-B1 BENZHYDRYLPIPERAZINES THE WELLCOME FOUNDATION LIMITED (GB) 1988-02-03 EP claimed
EP-0191286-A2 Sebosuppressive cosmetic compositions containing alkoxy or alkylbenzyloxybenzoic acids or salts thereof Henkel Kommanditgesellschaft auf Aktien (DE) 1986-08-20 EP claimed
EP-0019165-B1 PROCESS FOR PREPARING 1,3,7-TRIALKYLXANTHINES SOCIETE DES PRODUITS NESTLE S.A. (CH) 1985-07-31 EP claimed
EP-0133323-A1 Benzhydrylpiperazines THE WELLCOME FOUNDATION LIMITED (GB) 1985-02-20 EP claimed
US-4450163-A ANTIBODY INHIBITORS; N-ALKYLATION OF XANTHINES USING PHASE TRANSFER AGENTS SOCIETE D'ASSISTANCE TECHNIQUE POUR PRODUITS NESTLE S.A. (CH) 1984-05-22 US 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 (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-20220354949-A1 NOVEL COMPOUNDS MUSK, TYR, IKZF3 ALDH1A1 699/4885TSHR 4349/4885MAOB 3158/4885
US-20240109866-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R ALDH1A1 2977/4885TSHR 102/4885MAOB 370/4885

“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.