SCHEMBL29944673

SCHEMBL29944673

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.60
PPARA Q07869 2/20 0.52
CTRB1 P17538 2/20 0.49
OPRK1 P41145 5/20 0.48
CTSK P43235 1/20 0.48
MEN1 O00255 4/20 0.48
LMNA P02545 4/20 0.48
KMT2A Q03164 4/20 0.48
CNR2 P34972 1/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KLK1 P06870 1/20 0.47
CCR1 P32246 1/20 0.47
PTPN7 P35236 2/20 0.47
HTT P42858 2/20 0.47
ALOX12 P18054 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRM1 P35372 1/20 0.46

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
SCHEMBL29944675 1.00 TP53 (0.60) TP53PPARACTRB1OPRK1CTSK
SCHEMBL4998172 0.90 CTRB1 (0.55) CTRB1LMNAALDH1A1SMN1; SMN2
SCHEMBL7134978 0.90 CTRB1 (0.55) CTRB1LMNAALDH1A1SMN1; SMN2
SCHEMBL4665558 0.90 CTRB1 (0.55) CTRB1LMNAALDH1A1SMN1; SMN2
SCHEMBL12195405 0.89 KLK1 (0.58) TP53CTRB1OPRK1CTSKMEN1
SCHEMBL16553624 0.86 CTRB1 (0.49) TP53CTRB1MEN1LMNAKMT2A
SCHEMBL8162994 0.86 CTRB1 (0.49) TP53CTRB1MEN1LMNAKMT2A
SCHEMBL12195401 0.86 CTSK (0.49) CTRB1OPRK1CTSKMEN1LMNA
SCHEMBL12195404 0.85 PRKCA (0.54) CTSKKLK1
SCHEMBL1554807 0.84 ATM (0.64) TP53CTSKCNR2ALDH1A1KLK1

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 TP53 2687/4885PPARA 4775/4885CTRB1 3340/4885

“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.