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SCHEMBL29655865

SCHEMBL29655865

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 8/20 0.61
▸ OPRM1 P35372 6/20 0.61
▸ OPRK1 P41145 2/20 0.55
▸ CALCR P30988 2/20 0.55

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
SCHEMBL29656041 0.97 OPRD1 (0.61) OPRD1OPRM1OPRK1CALCR
SCHEMBL31688332 0.93 OPRM1 (0.61) OPRD1OPRM1OPRK1CALCR
SCHEMBL29695551 0.89 CALCR (0.62) OPRD1OPRM1CALCR
SCHEMBL29536416 0.89 OPRD1 (0.66) OPRD1OPRM1OPRK1CALCR
SCHEMBL30906362 0.89 KEAP1 (0.57) OPRD1OPRM1OPRK1CALCR
SCHEMBL29856023 0.88 CALCR (0.61) OPRD1OPRM1CALCR
SCHEMBL29988048 0.88 NPY2R (0.64) CALCR
SCHEMBL29610214 0.88 CALCR (0.62) OPRD1OPRM1OPRK1CALCR
SCHEMBL31683333 0.88 CALCR (0.60) OPRD1OPRM1OPRK1CALCR
SCHEMBL30906344 0.87 KEAP1 (0.59) CALCR

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-11344548-B2 Analogs of 3,5-dihydroxypentanoate for bone formation KAOHSIUNG MEDICAL UNIVERSITY (TW) 2022-05-31 — — US claimed
US-11344548-B2 Analogs of 3,5-dihydroxypentanoate for bone formation KAOHSIUNG MEDICAL UNIVERSITY (TW) 2022-05-31 — — 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-11344548-B2 Analogs of 3,5-dihydroxypentanoate for bone formation CYP24A1, CYP27B1, CYP2R1 OPRD1 253/4885OPRM1 1518/4885OPRK1 322/4885

“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.