SCHEMBL29655872

SCHEMBL29655872

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nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 10/20 0.67
▸ KEAP1 Q14145 1/20 0.62
▸ C5AR1 P21730 1/20 0.62
▸ CTSL P07711 3/20 0.62
▸ CTSS P25774 3/20 0.62
▸ CTSK P43235 3/20 0.62
▸ GLP1R P43220 4/20 0.61
▸ GCGR P47871 4/20 0.61
▸ GIPR P48546 1/20 0.61
▸ CTSH P09668 1/20 0.60

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
SCHEMBL29655839 0.93 CXCR4 (0.63) CXCR4KEAP1C5AR1CTSLCTSS
SCHEMBL30567718 0.90 KEAP1 (0.68) KEAP1C5AR1GLP1RGCGRGIPR
SCHEMBL30607317 0.90 KEAP1 (0.67) CXCR4KEAP1C5AR1GLP1RGCGR
SCHEMBL31307904 0.90 CXCR4 (0.68) CXCR4KEAP1CTSLCTSSCTSK
SCHEMBL30712896 0.90 C5AR1 (0.63) CXCR4KEAP1C5AR1GLP1RGCGR
SCHEMBL30429341 0.89 GLP1R (0.68) CXCR4KEAP1C5AR1GLP1RGCGR
SCHEMBL30432159 0.88 C5AR1 (0.73) CXCR4KEAP1C5AR1GLP1RGCGR
SCHEMBL29949915 0.87 KEAP1 (0.69) CXCR4KEAP1GLP1RGCGRGIPR
SCHEMBL31148810 0.87 GLP1R (0.68) CXCR4KEAP1C5AR1GLP1RGCGR
SCHEMBL29697166 0.87 CTSL (0.62) CXCR4KEAP1C5AR1CTSLCTSS

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 1077/4885KEAP1 2064/4885C5AR1 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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