SCHEMBL5638474

SCHEMBL5638474

C=CC(OC(C)=O)c1ccc(C(=O)OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA7 P43166 1/20 0.44
MAPT P10636 4/20 0.43
RAB9A P51151 3/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.42
OPRD1 P41143 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL21308979 0.81 ALDH1A1 (0.40) ALDH1A1CA1CA2CA12CA9
SCHEMBL29034768 0.81 MAPT (0.44) ALDH1A1CA1CA2TDP1MAPT
SCHEMBL27628648 0.79 CYP1A2 (0.44) ALDH1A1MAPTRAB9ATSHRMEN1
SCHEMBL29034776 0.79 TPMT (0.35) ALDH1A1CA1CA2MAPTKDM4E
SCHEMBL61038 0.78 CYP3A4 (0.50) ALDH1A1TDP1MAPTKDM4ETSHR
SCHEMBL11168796 0.78 ALDH1A1 (0.47) ALDH1A1CA1CA2CA12CA9
1'-Acetoxychavicol Acetate SCHEMBL17454871 0.78 LMNA (0.47) ALDH1A1MAPTGAAKDM4ETSHR
1'-Acetoxychavicol Acetate SCHEMBL3673490 0.78 LMNA (0.47) ALDH1A1MAPTGAAKDM4ETSHR
SCHEMBL9329280 0.77 CA1 (0.50) ALDH1A1CA1CA2CA12CA9
SCHEMBL5640199 0.77 CA1 (0.50) ALDH1A1CA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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

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 ALDH1A1 716/4885CA1 4138/4885CA2 1419/4885

“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.