SCHEMBL23995462

SCHEMBL23995462

CC12CCC3C(C)(C)C(N)CCC3(C)C1Cc1cc(O)ccc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ENTPD5 O75356 1/20 0.41
▸ SOD1 P00441 1/20 0.41
▸ OPRM1 P35372 5/20 0.40
▸ PTPN1 P18031 3/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ EPAS1 Q99814 2/20 0.39
▸ OPRK1 P41145 2/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ OPRD1 P41143 3/20 0.37
▸ POLA1 P09884 2/20 0.37
▸ NR3C1 P04150 1/20 0.37

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
SCHEMBL25761977 0.86 CYP3A4 (0.41) POLA1
SCHEMBL23995452 0.81 OPRD1 (0.41) OPRD1
SCHEMBL10046369 0.80 PIK3CB (0.35) ENTPD5OPRM1PTPN1HIF1AEPAS1
SCHEMBL10046367 0.80 PIK3CB (0.35) ENTPD5OPRM1PTPN1HIF1AEPAS1
SCHEMBL10046374 0.80 PIK3CB (0.35) ENTPD5OPRM1PTPN1HIF1AEPAS1
SCHEMBL10046373 0.80 PIK3CB (0.35) ENTPD5OPRM1PTPN1HIF1AEPAS1
SCHEMBL10046131 0.80 PIK3CB (0.35) ENTPD5OPRM1PTPN1HIF1AEPAS1
SCHEMBL12234038 0.80 ENTPD5 (0.63) ENTPD5SOD1PTPN1HIF1AEPAS1
SCHEMBL12234034 0.80 ENTPD5 (0.63) ENTPD5SOD1PTPN1HIF1AEPAS1
SCHEMBL12234033 0.80 ENTPD5 (0.63) ENTPD5SOD1PTPN1HIF1AEPAS1

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-20230174571-A1 METHOD OF TREATING SHIP1-MEDIATED DISEASES USING PELOROL DERIVATIVES ZEBRAPEUTICS INC. (CA) 2023-06-08 — — US disclosed
WO-2021213393-A1 METHOD OF TREATING SHIP1-MEDIATED DISEASES USING PELOROL DERIVATIVES ZEBRAPEUTICS INC. (CA) 2021-10-28 — — 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-20230174571-A1 METHOD OF TREATING SHIP1-MEDIATED DISEASES USING PELOROL DERIVATIVES PPM1D, PPM1F, PELI1 ENTPD5 1879/4885SOD1 2872/4885OPRM1 3941/4885

“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.

Send feedback