SCHEMBL29655888

SCHEMBL29655888

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 6/20 0.58
▸ KISS1R Q969F8 4/20 0.57
▸ C5AR1 P21730 2/20 0.56
▸ NPY1R P25929 1/20 0.54
▸ NPY2R P49146 1/20 0.54
▸ NPY4R P50391 1/20 0.54
▸ NPY5R Q15761 1/20 0.54
▸ MC4R P32245 1/20 0.53
▸ MC5R P33032 1/20 0.53
▸ MC3R P41968 1/20 0.53
▸ MC1R Q01726 1/20 0.53
▸ EED O75530 1/20 0.52
▸ AGTR1 P30556 1/20 0.52
▸ AGTR2 P50052 1/20 0.52
▸ MAPK8 P45983 1/20 0.52
▸ MAPK9 P45984 1/20 0.52
▸ MAPK10 P53779 1/20 0.52
▸ KEAP1 Q14145 1/20 0.52
▸ EPHA2 P29317 1/20 0.51

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
SCHEMBL29656083 0.96 C5AR1 (0.61) CXCR4KISS1RC5AR1NPY1RNPY2R
SCHEMBL31489038 0.88 KISS1R (0.60) CXCR4KISS1RC5AR1NPY1RNPY2R
SCHEMBL29845337 0.87 CXCR4 (0.58) CXCR4KISS1RC5AR1NPY1RNPY2R
SCHEMBL29913515 0.87 CXCR4 (0.62) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL31182720 0.87 NPY2R (0.69) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30381557 0.86 KISS1R (0.59) CXCR4KISS1RC5AR1NPY1RNPY2R
SCHEMBL31488939 0.86 KISS1R (0.63) CXCR4KISS1RC5AR1NPY1RNPY2R
SCHEMBL30176440 0.86 NPY1R (0.64) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL31606491 0.86 C5AR1 (0.61) CXCR4KISS1RC5AR1NPY1RNPY2R
SCHEMBL30007711 0.86 KISS1R (0.62) CXCR4KISS1RC5AR1

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 CXCR4 1077/4885KISS1R 2684/4885C5AR1 802/4885

“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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