SCHEMBL24474359

SCHEMBL24474359

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
EPHX1 P07099 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
PSMB5 P28074 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MTNR1A P48039 5/20 0.41
MTNR1B P49286 5/20 0.41
EPHX2 P34913 1/20 0.41
KMT2A Q03164 3/20 0.40
HSD17B10 Q99714 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 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
SCHEMBL10270129 1.00 ROCK2 (0.46) ROCK2ROCK1LMNATDP1EPHX1
SCHEMBL12425624 0.90 CYP2D6 (0.50) EPHX1CYP2D6CYP2C19PSMB5ALDH1A1
SCHEMBL24474316 0.89 ALDH1A1 (0.43) ROCK2ROCK1LMNATDP1EPHX1
SCHEMBL15199103 0.83 POLB (0.46) EPHX1CYP2D6CYP2C19PSMB5ALDH1A1
SCHEMBL17132547 0.83 LMNA (0.49) ROCK2ROCK1LMNATDP1CYP2D6
SCHEMBL16727369 0.83 POLB (0.46) EPHX1CYP2D6CYP2C19PSMB5ALDH1A1
SCHEMBL19083853 0.83 POLB (0.46) EPHX1CYP2D6CYP2C19PSMB5ALDH1A1
SCHEMBL24202435 0.83 MTNR1A (0.43) ROCK2ROCK1LMNATDP1PSMB5
SCHEMBL1768109 0.82 EPHX1 (0.50) EPHX1CYP2D6CYP2C19PSMB5ALDH1A1
SCHEMBL26763896 0.82 SMN1; SMN2 (0.55) EPHX1CYP2D6CYP2C19PSMB5ALDH1A1

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-11696959-B2 Nanoparticle-cell construct with platinum anti-cancer agent CITY OF HOPE (US) 2023-07-11 US disclosed
WO-2022111521-A1 AROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 杭州多域生物技术有限公司 2022-06-02 WO 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 ROCK2 2310/4885ROCK1 1926/4885LMNA 2866/4885

“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.