SCHEMBL5638282

SCHEMBL5638282

CCCC(C(=O)O)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
SLC6A4 P31645 1/20 0.44
ALDH1A1 P00352 3/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
ACP3 P15309 1/20 0.43
CMA1 P23946 1/20 0.43
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 0.42
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL22288146 0.91 PPARG (0.43) CYP2C9CYP2C19HPGDHTTALDH1A1
SCHEMBL6842064 0.91 ALOX5 (0.44) CYP2C9CYP2C19HPGDHTTSLC6A4
SCHEMBL5156697 0.89 KDM4E (0.47) CYP2C9CYP2C19HPGDHTTSLC6A4
SCHEMBL451183 0.88 KDM4E (0.49) CYP2C9CYP2C19HPGDHTTEPHX2
SCHEMBL3740930 0.88 KDM4E (0.49) CYP2C9CYP2C19HPGDHTTEPHX2
SCHEMBL2024342 0.88 KDM4E (0.49) CYP2C9CYP2C19HPGDHTTEPHX2
SCHEMBL2028355 0.88 KDM4E (0.49) CYP2C9CYP2C19HPGDHTTEPHX2
SCHEMBL8015861 0.88 KDM4E (0.49) CYP2C9CYP2C19HPGDHTTEPHX2
SCHEMBL1826965 0.88 KDM4E (0.49) CYP2C9CYP2C19HPGDHTTEPHX2
SCHEMBL2536987 0.88 KDM4E (0.49) CYP2C9CYP2C19HPGDHTTEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
CN-113164797-A Novel cosmetic and dermatological use of Polybuthus martensii extract 巴斯夫美容护理法国公司 2021-07-23 CN disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
WO-2020155595-A1 AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR 清华大学 2020-08-06 WO disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes AMMENN ET AL, JOCHEN 2005-12-08 US disclosed
EP-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 EP disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 WO disclosed
EP-0382990-A1 Strains of bacillus thuringiensis PLANT GENETIC SYSTEMS, N.V. (BE) 1990-08-22 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 (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-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R CYP2C9 374/4885CYP2C19 154/4885HPGD 611/4885

“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.