SCHEMBL26971309

SCHEMBL26971309

COC(=O)Cc1ccc(-c2cccc(O)c2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 3/20 0.52
▸ HSD17B2 P37059 3/20 0.52
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ GFER P55789 1/20 0.46
▸ HSP90AB1 P08238 1/20 0.45
▸ WNT3A P56704 7/20 0.45
▸ LMNA P02545 2/20 0.44
▸ KDM1A O60341 1/20 0.43
▸ ESR1 P03372 1/20 0.42
▸ THRA P10827 1/20 0.42
▸ THRB P10828 1/20 0.42

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
SCHEMBL31716601 0.86 WNT3A (0.59) NPC1RAB9ASMN1; SMN2PKMHPGD
SCHEMBL13791195 0.79 HSP90AB1 (0.54) HSD17B1HSD17B2NPC1RAB9ASMN1; SMN2
SCHEMBL27694530 0.78 RAB9A (0.49) NPC1RAB9ASMN1; SMN2PKMHPGD
SCHEMBL21228142 0.77 HSD17B1 (0.56) HSD17B1HSD17B2KDM1AFYN
SCHEMBL29914699 0.77 HSD17B1 (0.56) HSD17B1HSD17B2KDM1AFYN
SCHEMBL30435086 0.75 HSP90AB1 (0.67) SMN1; SMN2PKMHPGDNFKB1ALDH1A1
SCHEMBL979023 0.75 HSP90AB1 (0.67) SMN1; SMN2PKMHPGDNFKB1ALDH1A1
SCHEMBL20799456 0.74 HSD17B1 (0.56) HSD17B1HSD17B2LMNAKDM1AFYN
SCHEMBL30452574 0.74 CYP11B1 (0.51) NPC1RAB9AALDH1A1
SCHEMBL28440183 0.74 CYP11B1 (0.51) NPC1RAB9AALDH1A1

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-11858918-B2 GLP-1R modulating compounds GILEAD SCIENCES, INC. (US) 2024-01-02 — — US disclosed
US-11858918-B2 GLP-1R modulating compounds GILEAD SCIENCES, INC. (US) 2024-01-02 — — 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-11858918-B2 GLP-1R modulating compounds GLP1R, GIPR, GPR119 HSD17B1 1910/4885HSD17B2 2411/4885NPC1 1188/4885

“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.

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