SCHEMBL18325696

SCHEMBL18325696

Cc1nn(CC(=O)O)c2c1CCC(C)C2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ GAA P10253 1/20 0.42
▸ LMNA P02545 3/20 0.39
▸ TSHR P16473 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.34

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
SCHEMBL18325694 0.85 MAPT (0.36) ALDH1A1GAALMNATSHRNPC1
SCHEMBL18317372 0.81 LMNA (0.64) ALDH1A1GAALMNATSHRNPSR1
SCHEMBL23793284 0.74 EPHX2 (0.40) ALDH1A1GAALMNATSHRNPSR1
SCHEMBL18325698 0.71 ALDH1A1 (0.44) ALDH1A1GAALMNATSHRNPSR1
SCHEMBL24909975 0.70 LMNA (0.60) ALDH1A1GAALMNATSHRNPSR1
SCHEMBL30066529 0.69 HTT (0.35) ALDH1A1GAATSHRNPC1HPGD
SCHEMBL18317199 0.68 LMNA (0.49) ALDH1A1GAALMNATSHRNPSR1
SCHEMBL31648531 0.68 ALDH1A1 (0.46) ALDH1A1GAALMNATSHRNPSR1
SCHEMBL18325699 0.65 ALDH1A1 (0.40) ALDH1A1GAALMNATSHRNPSR1
SCHEMBL13463822 0.65 LMNA (0.47) GAALMNATSHRNPSR1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160368881-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-12-22 — — 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-20160368881-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 ALDH1A1 429/4885GAA 24/4885LMNA 3258/4885

“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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