SCHEMBL12301

SCHEMBL12301

Cc1csc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
CYP2A6 P11509 4/20 0.52
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
PKM P14618 1/20 0.46
CYP1A2 P05177 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
GPR3 P46089 1/20 0.42
MAOB P27338 2/20 0.40

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
SCHEMBL11320385 0.98 MAPT (0.52) MAPTCYP2A6PTGS1PTGS2PKM
Hydrochloric Acid SCHEMBL1237492 0.95 MAPT (0.50) MAPTCYP2A6PTGS1PTGS2PKM
SCHEMBL3456141 0.82 MAOB (0.49) MAPTCYP2A6PKMSMN1; SMN2MAOB
SCHEMBL23430404 0.75 CYP2A6 (0.44) MAPTCYP2A6PTGS1PTGS2PKM
SCHEMBL4381193 0.74 CYP2A6 (0.54) MAPTCYP2A6PKMHDAC3HDAC4
SCHEMBL21338369 0.73 TNKS2 (0.44) MAPTCYP2A6SMN1; SMN2ALDH1A1ALOX5
SCHEMBL18805431 0.73 CYP2A6 (0.50) MAPTCYP2A6PTGS1PTGS2CYP1A2
SCHEMBL20751462 0.72 CYP2A6 (0.51) MAPTCYP2A6SMN1; SMN2ALDH1A1TP53
SCHEMBL15472198 0.72 PKM (0.51) MAPTPKMSMN1; SMN2ALDH1A1TP53
SCHEMBL264791 0.72 CYP2A6 (0.52) MAPTCYP2A6PKMSMN1; SMN2HDAC3

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 1919 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4129065-B1 MAMMAL REPELLENT SCENT SCIENCE INT INC (JP) 2025-06-11 EP claimed
CN-118496887-A Method for removing sulfur-containing organic compounds in oil products by using porous carbon nano-sheet supported bimetallic phosphide catalyst 广东石油化工学院 2024-08-16 CN claimed
CN-115851377-B Extraction method for improving quality of Pterocarpus marsupium essential oil and application 江西省林业科学院 2024-06-25 CN claimed
CN-117700750-A Preparation method of functional polysiloxane with atypical fluorescence 山东大学 2024-03-15 CN claimed
CN-117700440-A Preparation method of functional disiloxane with atypical fluorescence 山东大学 2024-03-15 CN claimed
US-20230363389-A1 MAMMAL REPELLENT SCENT SCIENCE INTERNATIONAL INC. (JP) 2023-11-16 US claimed
EP-4247837-A1 NEW CYCLIC COMPOUNDS, PROCESS FOR THE PRODUCTION THEREOF, AND USE OF SAID CYCLIC COMPOUNDS IN COSMETIC PREPARATIONS Eberhard-Karls-Universität Tübingen (DE) 2023-09-27 EP claimed
CN-116704872-A Preparation method of surface-enhanced Raman label 南京工业大学 2023-09-05 CN claimed
CN-116640106-A Phenylpiperazine compound and preparation method and application thereof 郑州大学 2023-08-25 CN claimed
CN-116635400-A Novel cyclic compounds, method for the production thereof and use of these cyclic compounds in cosmetic preparations 艾伯哈特卡尔斯图宾根大学 2023-08-22 CN claimed
US-5169841-A Enzyme inhibitors, hypotensive agents, high enteral bioauailability HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-08 US claimed
US-5104869-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1992-04-14 US claimed
EP-0460679-A2 Endothelin antagonistic peptide derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-12-11 EP claimed
EP-0435059-A1 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-07-03 EP claimed
EP-0428849-A2 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-29 EP claimed
EP-0427939-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1991-05-22 EP claimed
EP-0371467-A2 Beta-amino boron acid derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-06 EP claimed
EP-0354522-A1 Use of alpha-aminoboronic acid derivatives in prevention and treatement of viral diseases HOECHST AKTIENGESELLSCHAFT (DE) 1990-02-14 EP claimed
EP-0315574-A2 Renin inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-10 EP claimed
EP-0050072-B1 CYCLOPROPYL METHYL PIPERAZINES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THERAPEUTICS INNOTHERA (FR) 1984-12-27 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 (1 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-20230363389-A1 MAMMAL REPELLENT TMT1A, L3MBTL1, NAAA MAPT 2855/4885CYP2A6 699/4885PTGS1 3356/4885

“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.