SCHEMBL17549673

SCHEMBL17549673

CCc1ccc(C(=O)CC(C(=O)O)N2CCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.55
SLC6A3 Q01959 10/20 0.49
SLC6A2 P23975 8/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
SLC6A4 P31645 5/20 0.47
CHRM2 P08172 1/20 0.47
CYP2D6 P10635 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
CHRM3 P20309 1/20 0.47
DRD3 P35462 1/20 0.47
OPRD1 P41143 1/20 0.47
KCNH2 Q12809 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
HSP90AA1 P07900 1/20 0.45

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
SCHEMBL27811710 0.82 HSD17B10 (0.73) HSD17B10SLC6A3SLC6A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL6048626 0.81 HSD17B10 (0.71) HSD17B10SLC6A3SLC6A2CYP2C9CYP2C19
SCHEMBL17549634 0.81 HSD17B10 (0.52) HSD17B10SLC6A3CYP2C9CYP2C19SLC6A4
SCHEMBL17549641 0.72 HSD17B10 (0.52) HSD17B10DRD3OPRD1HSP90AA1ALDH1A1
SCHEMBL17549636 0.71 HPGD (0.52) HSD17B10SLC6A3SLC6A2SLC6A4CHRM2
SCHEMBL9850531 0.71 ALDH1A1 (0.55) HSD17B10CYP2C9CYP2C19CHRM2CYP2D6
SCHEMBL15599303 0.71 HSD17B10 (1.00) HSD17B10CYP2C9CYP2C19DRD3CYP1A2
SCHEMBL11304836 0.70 HPGD (0.47) SLC6A3SLC6A2CYP2C9CYP2C19SLC6A4
SCHEMBL28034427 0.69 ALDH1A1 (0.63) CYP2C9CYP2C19HPGDMAPK1ALDH1A1
SCHEMBL13181405 0.69 ALDH1A1 (0.68) HSD17B10SLC6A3SLC6A2CYP2C9CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160060235-A1 Therapeutic Agent for Type 2 Diabetes NATIONAL UNIVERSITY CORPORATION KUMAMOTO UNIVERSITY (JP) 2016-03-03 US disclosed
US-20160060235-A1 Therapeutic Agent for Type 2 Diabetes NATIONAL UNIVERSITY CORPORATION KUMAMOTO UNIVERSITY (JP) 2016-03-03 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 (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-20160060235-A1 Therapeutic Agent for Type 2 Diabetes RNASE1, CDKL2, CDKL1 HSD17B10 3806/4885SLC6A3 3762/4885SLC6A2 4046/4885

“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.