SCHEMBL23995347

SCHEMBL23995347

CC[C@H]1C[C@@H]1c1ccc(C(=O)OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 3/20 0.48
HPGD P15428 3/20 0.48
KDM4E B2RXH2 3/20 0.48
TSHR P16473 3/20 0.48
GAA P10253 2/20 0.48
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
ATM Q13315 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL13832201 0.83 KDM4E (0.45) ALDH1A1HSD17B10HPGDKDM4ETSHR
SCHEMBL23992970 0.82 LOXL2 (0.47) ALDH1A1HPGDTSHRGAARAB9A
SCHEMBL23995263 0.81 PLK1 (0.50) HPGDTSHRSMN1; SMN2HTTCA1
SCHEMBL23993000 0.80 CYP2C9 (0.49) CA1CA2
SCHEMBL23992969 0.80 ALDH1A1 (0.53) ALDH1A1HSD17B10HPGDKDM4ETSHR
SCHEMBL24890834 0.78 KDM4E (0.55) ALDH1A1HSD17B10HPGDKDM4ETSHR
SCHEMBL24890814 0.78 KDM4E (0.55) ALDH1A1HSD17B10HPGDKDM4ETSHR
Hydrochloric Acid SCHEMBL17002905 0.77 MAOB (0.56) ALDH1A1HSD17B10HPGDKDM4ETSHR
SCHEMBL13984796 0.77 TSHR (0.60) ALDH1A1HSD17B10HPGDKDM4ETSHR
Hydrochloric Acid SCHEMBL17002906 0.77 MAOB (0.56) ALDH1A1HSD17B10HPGDKDM4ETSHR

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-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 US disclosed
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E ALDH1A1 347/4885HSD17B10 3660/4885HPGD 835/4885

“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.