SCHEMBL29944719

SCHEMBL29944719

CN(C(=O)OCc1ccccc1)[C@@H](CO)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.46
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 4/20 0.42
UTS2R Q9UKP6 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
OPRK1 P41145 3/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CNR2 P34972 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL29944688 1.00 ABCB1 (0.46) ABCB1TP53POLBRXFP1ALDH1A1
SCHEMBL20661098 0.83 ALDH1A1 (0.46) ABCB1TP53POLBRXFP1ALDH1A1
SCHEMBL20661074 0.83 ALDH1A1 (0.46) ABCB1TP53POLBRXFP1ALDH1A1
SCHEMBL20661073 0.83 ALDH1A1 (0.46) ABCB1TP53POLBRXFP1ALDH1A1
SCHEMBL29944667 0.81 ABCB1 (0.39) ABCB1TP53POLBRXFP1UTS2R
SCHEMBL29944709 0.81 ABCB1 (0.39) ABCB1TP53POLBRXFP1UTS2R
SCHEMBL7392945 0.79 ABCB1 (0.52) ABCB1ALDH1A1MEN1KMT2AOPRK1
SCHEMBL21979530 0.77 AOC3 (0.41) POLBALDH1A1UTS2RMEN1LMNA
SCHEMBL20660981 0.77 AOC3 (0.41) POLBALDH1A1UTS2RMEN1LMNA
SCHEMBL21979520 0.77 AOC3 (0.41) POLBALDH1A1UTS2RMEN1LMNA

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-11479533-B2 Inhibitors of Rho associated coiled-coil containing protein kinase KADMON CORPORATION, LLC (US) 2022-10-25 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-11479533-B2 Inhibitors of Rho associated coiled-coil containing protein kinase ROCK1, ROCK2, RHOT2 ABCB1 4058/4885TP53 2687/4885POLB 4116/4885

“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.