SCHEMBL25693457

SCHEMBL25693457

C=CCOC(=O)N(C)c1ncccc1COP(=O)(OCC(C)C)OCC(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PKM P14618 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ELANE P08246 1/20 0.31
▸ KCNA5 P22460 1/20 0.30

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
SCHEMBL25683931 0.85 PKM (0.32) PKMSMN1; SMN2
SCHEMBL30393112 0.85 PKM (0.32) PKMSMN1; SMN2
SCHEMBL30392953 0.80 CYP3A4 (0.38) KDM4EALDH1A1SMN1; SMN2
SCHEMBL25577923 0.80 CYP3A4 (0.38) KDM4EALDH1A1SMN1; SMN2
SCHEMBL23084799 0.73 POLB (0.38) KDM4EALDH1A1KCNA5
SCHEMBL29868237 0.73 POLB (0.38) KDM4EALDH1A1KCNA5
SCHEMBL29868093 0.73 ALDH1A1 (0.36) KDM4EALDH1A1SMN1; SMN2KCNA5
SCHEMBL23084690 0.73 ALDH1A1 (0.36) KDM4EALDH1A1SMN1; SMN2KCNA5
SCHEMBL30270924 0.71 CHRM2 (0.32) —
SCHEMBL25943764 0.71 CASP3 (0.33) KDM4EALDH1A1

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-11787825-B2 Therapeutic compounds for HIV virus infection GILEAD SCIENCES, INC. (US) 2023-10-17 — — US disclosed
US-20230203069-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. 2023-06-29 — — 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 (2 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-11787825-B2 Therapeutic compounds for HIV virus infection HAVCR2, MAVS, CD4 KDM4E 2317/4885ALDH1A1 1718/4885PKM 2888/4885
US-20230203069-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION HAVCR2, MAVS, CD4 KDM4E 2317/4885ALDH1A1 1718/4885PKM 2888/4885

“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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