SCHEMBL3047458

SCHEMBL3047458

Cc1ccccc1CCC(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
DAO P14920 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.39
P2RX7 Q99572 1/20 0.39
CHRM2 P08172 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
DHODH Q02127 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL31517195 0.85 SLC6A2 (0.48) TAAR1SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL7630645 0.85 SLC6A2 (0.48) TAAR1SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL11151846 0.84 TAAR1 (0.48) TAAR1SLC6A2SLC6A4SLC6A3DAO
SCHEMBL9694182 0.84 TAAR1 (0.48) TAAR1SLC6A2SLC6A4SLC6A3DAO
SCHEMBL6138952 0.84 TAAR1 (0.48) TAAR1SLC6A2SLC6A4SLC6A3DAO
SCHEMBL15945059 0.83 SLC6A4 (0.63) TAAR1SLC6A2SLC6A4SLC6A3DAO
SCHEMBL1716142 0.83 TAAR1 (0.52) TAAR1SLC6A2SLC6A4SLC6A3DAO
SCHEMBL20822186 0.83 ESR1 (0.40) TAAR1SLC6A2SLC6A4SLC6A3P2RX7
SCHEMBL9794663 0.82 TAAR1 (0.56) TAAR1SLC6A2SLC6A4SLC6A3DAO
SCHEMBL15133902 0.80 TAAR1 (0.59) TAAR1SLC6A2SLC6A4SLC6A3DAO

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5043501-A Catalytic alkylation and dehydrocyclization using zeolite catalyst MOBIL OIL CORP. (US) 1991-08-27 US claimed
US-20240228495-A1 Tricyclic Inhibitors of Influenza Virus Endonuclease STANFORD RES INST INT (US) 2024-07-11 US disclosed
US-20230381132-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2023-11-30 US disclosed
EP-2968211-B1 PHENYL ALKYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING EPILEPSY OR EPILEPSY-RELATED SYNDROME BIO PHARM SOLUTIONS CO LTD (KR) 2021-05-12 EP disclosed
EP-2239057-B1 Asymmetric catalyst and process for preparing optically active alcohols using the same KANTO KAGAKU (JP) 2015-06-03 EP disclosed
US-8232420-B2 Asymmetric catalyst and process for preparing optically active alcohols using the same KANTO KAGAKU KABUSHIKI KAISHA (JP) 2012-07-31 US disclosed
US-20100261924-A1 ASYMMETRIC CATALYST AND PROCESS FOR PREPARING OPTICALLY ACTIVE ALCOHOLS USING THE SAME KANTO KAGAKU KABUSHIKI KAISHA (JP) 2010-10-14 US disclosed
EP-2239057-A1 Asymmetric catalyst and process for preparing optically active alcohols using the same Kanto Kagaku Kabushiki Kaisha (JP) 2010-10-13 EP disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
US-6239097-B1 Cleaning formulation PRODUCT SOURCE INTERNATIONAL, INC. (CA) 2001-05-29 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
EP-0857778-A2 Cleaning formulation Product Source International, Inc. (CA) 1998-08-12 EP disclosed
EP-0447069-B1 Process for preparing dimethylnaphthalene MOBIL OIL CORP (US) 1995-05-10 EP disclosed
EP-0447069-A2 Process for preparing dimethylnaphthalene MOBIL OIL CORPORATION (US) 1991-09-18 EP disclosed
US-5043501-A Catalytic alkylation and dehydrocyclization using zeolite catalyst MOBIL OIL CORP. (US) 1991-08-27 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 (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-20100261924-A1 ASYMMETRIC CATALYST AND PROCESS FOR PREPARING OPTICALLY ACTIVE ALCOHOLS USING THE SAME ADH1A, ADH1C, ADH5 TAAR1 48/4885SLC6A2 3224/4885SLC6A4 3665/4885
US-20240228495-A1 Tricyclic Inhibitors of Influenza Virus Endonuclease RNASEH1, RNASEL, DNASE1 TAAR1 3181/4885SLC6A2 3980/4885SLC6A4 3108/4885
US-20230381132-A1 NOVEL COMPOUNDS CNKSR1, RORC, RCOR3 TAAR1 3032/4885SLC6A2 4825/4885SLC6A4 4872/4885

“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.