SCHEMBL30009936

SCHEMBL30009936

COC(=O)c1cccc(C)c1C1CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 1/20 0.50
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 7/20 0.46
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
NR4A2 P43354 1/20 0.43
RIPK1 Q13546 1/20 0.42
TSHR P16473 4/20 0.42
LMNA P02545 2/20 0.42
DRD2 P14416 1/20 0.41
CFTR P13569 1/20 0.41
RECQL P46063 1/20 0.41
MAPK10 P53779 1/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 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
SCHEMBL16957174 0.94 CXCR5 (0.46) CXCR5KDM4EALDH1A1HSD17B10HPGD
SCHEMBL30281107 0.83 KDM4E (0.45) KDM4EALDH1A1HSD17B10HPGDNPSR1
SCHEMBL30425639 0.81 PTGER4 (0.44) CXCR5KDM4EALDH1A1HSD17B10HPGD
SCHEMBL30280801 0.79 KDM4E (0.49) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL11566905 0.78 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDNPSR1
SCHEMBL14688546 0.78 CXCR5 (0.60) CXCR5KDM4EALDH1A1HSD17B10HPGD
SCHEMBL17669997 0.78 HSP90AA1 (0.48) KDM4EALDH1A1HSD17B10HPGDNPSR1
SCHEMBL30280770 0.78 HSP90AA1 (0.48) KDM4EALDH1A1HSD17B10HPGDNPSR1
SCHEMBL4359667 0.78 CXCR5 (0.52) CXCR5KDM4EALDH1A1HSD17B10HPGD
SCHEMBL18304683 0.78 CXCR5 (0.55) CXCR5KDM4EALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340556-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2022-10-27 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 (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-20220340556-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 CXCR5 4107/4885KDM4E 1641/4885ALDH1A1 651/4885

“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.