SCHEMBL1969979

SCHEMBL1969979

CCOC(=O)c1nc(C)oc1-c1cccc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 3/20 0.50
PDCD4 Q53EL6 1/20 0.50
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 5/20 0.49
HPGD P15428 4/20 0.48
HSD17B10 Q99714 3/20 0.48
TP53 P04637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
FPR2 P25090 1/20 0.47
IKBKB O14920 1/20 0.46
CSNK1D P48730 1/20 0.46
ELANE P08246 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 1/20 0.46
PIN1 Q13526 1/20 0.44
FOS P01100 1/20 0.44
JUN P05412 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL4738316 0.86 TARBP2 (0.48) TARBP2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29158652 0.85 TARBP2 (0.57) TARBP2PDCD4ALDH1A1KDM4EHPGD
SCHEMBL1167406 0.85 PIN1 (0.57) ALDH1A1KDM4EHPGDHSD17B10RXRA
SCHEMBL13056699 0.85 TARBP2 (0.64) TARBP2PDCD4ALDH1A1KDM4EHPGD
SCHEMBL4786522 0.84 ALOX5 (0.55) TARBP2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1340374 0.84 TRPM8 (0.53) TARBP2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1968359 0.83 TARBP2 (0.59) TARBP2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29158607 0.82 TARBP2 (0.55) TARBP2PDCD4ALDH1A1KDM4EHPGD
SCHEMBL1965950 0.81 MEN1 (0.55) TARBP2ALDH1A1KDM4EHPGDTP53
SCHEMBL29158596 0.81 KDM4E (0.55) TARBP2PDCD4ALDH1A1KDM4EHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO disclosed
WO-2008087611-A2 PYRROLIDINE- AND PIPERIDINE- BIS-AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-24 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 TARBP2 4718/4885PDCD4 3367/4885ALDH1A1 2292/4885

“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.