SCHEMBL25801598

SCHEMBL25801598

CC(C)CCCNC(=O)C1CCC(C(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
NAAA Q02083 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP2C19 P33261 3/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
CYP3A4 P08684 3/20 0.41
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 5/20 0.41
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.40
EPHX2 P34913 1/20 0.39
GAA P10253 1/20 0.39
PSMB5 P28074 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL29306398 0.92 HSD17B10 (0.54) HSD17B10NAAAMEN1KMT2ACYP2C19
SCHEMBL10270126 0.90 HSD17B10 (0.57) HSD17B10NAAAMEN1KMT2ACYP2C19
SCHEMBL22509724 0.90 HSD17B10 (0.57) HSD17B10NAAAMEN1KMT2ACYP2C19
SCHEMBL10137843 0.85 HSD17B10 (0.49) HSD17B10NAAAMEN1KMT2ACYP2C19
SCHEMBL25801740 0.85 NAAA (0.57) NAAAMEN1KMT2ACYP2C19ROCK2
SCHEMBL17789630 0.85 NAAA (0.56) HSD17B10NAAAMEN1KMT2ACYP2C19
SCHEMBL28342798 0.85 NAAA (0.56) HSD17B10NAAAMEN1KMT2ACYP2C19
SCHEMBL24202420 0.84 NAAA (0.64) NAAAGNAI3GNAO1GNAI1ALDH1A1
SCHEMBL10137833 0.83 NAAA (0.63) HSD17B10NAAAMEN1KMT2ACYP2C19
SCHEMBL10270570 0.81 ROCK2 (0.45) HSD17B10NAAAMEN1KMT2AROCK2

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 HSD17B10 4551/4885NAAA 3354/4885MEN1 750/4885

“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.