SCHEMBL25801740

SCHEMBL25801740

CCCCNC(=O)C1CCC(C(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.57
GNAI3 P08754 3/20 0.53
GNAO1 P09471 3/20 0.53
GNAI1 P63096 3/20 0.53
GAA P10253 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.44
PRCP P42785 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43

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
SCHEMBL24202420 0.95 NAAA (0.64) NAAAGNAI3GNAO1GNAI1GAA
SCHEMBL1679331 0.88 NAAA (0.70) NAAAGNAI3GNAO1GNAI1GAA
SCHEMBL25801598 0.85 HSD17B10 (0.48) NAAAGNAI3GNAO1GNAI1GAA
SCHEMBL10270570 0.83 ROCK2 (0.45) NAAAGNAI3GNAO1GNAI1MEN1
SCHEMBL25801595 0.83 ROCK2 (0.43) NAAAGNAI3GNAO1GNAI1GAA
SCHEMBL17132547 0.82 LMNA (0.49) NAAAGNAI3GNAO1GNAI1KMT2A
SCHEMBL377246 0.82 NAAA (0.79) NAAAGNAI3GNAO1GNAI1GAA
SCHEMBL20900508 0.81 NAAA (0.41) NAAAGNAI3GNAO1GNAI1ALDH1A1
SCHEMBL22509724 0.81 HSD17B10 (0.57) NAAAGAAMEN1KMT2ACYP2C19
SCHEMBL10270126 0.81 HSD17B10 (0.57) NAAAGAAMEN1KMT2ACYP2C19

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-11696959-B2 Nanoparticle-cell construct with platinum anti-cancer agent CITY OF HOPE (US) 2023-07-11 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-11696959-B2 Nanoparticle-cell construct with platinum anti-cancer agent CD47, TP53, CD63 NAAA 3354/4885GNAI3 2435/4885GNAO1 3726/4885

“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.