SCHEMBL846442

SCHEMBL846442

O=C(O)/C=C/c1ccc(NCC2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.53
HDAC3 O15379 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53
HDAC4 P56524 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
RARB P10826 1/20 0.52
HDAC2 Q92769 2/20 0.46
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 2/20 0.45
ALDH1A1 P00352 1/20 0.44
HCAR2 Q8TDS4 2/20 0.44
CA12 O43570 1/20 0.44
AKR1B10 O60218 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ESR1 P03372 1/20 0.44
CA3 P07451 1/20 0.44
PKM P14618 1/20 0.44
TYR P14679 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
SCHEMBL846443 1.00 HDAC1 (0.53) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL11156911 0.82 CA12 (0.53) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL846845 0.82 CA12 (0.53) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL28807889 0.78 RARB (0.62) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL11655130 0.77 KMT2A (0.60) HDAC1HDAC3HDAC6HDAC2CA2
SCHEMBL11658316 0.77 KMT2A (0.60) HDAC1HDAC3HDAC6HDAC2CA2
SCHEMBL8084190 0.77 KMT2A (0.60) HDAC1HDAC3HDAC6HDAC2CA2
SCHEMBL11159785 0.77 ADH1B (0.46) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL4175392 0.75 ALDH1A1 (0.51) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL11150941 0.75 CA12 (0.45) HDAC1HDAC3HDAC8HDAC6HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4388459-A HYPOLIPIDEMIC, ANTIATHEROSCLEROTIC AMERICAN CYANAMID COMPANY (US) 1983-06-14 US claimed
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP disclosed
EP-2308848-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor Janssen Pharmaceutica NV (BE) 2011-04-13 EP disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US disclosed
EP-1603883-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-14 EP disclosed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 US disclosed
WO-2004069792-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (US) 2004-08-19 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 (2 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-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor TRPV1, OPRL1, TRPV2 HDAC1 1481/4885HDAC3 1132/4885HDAC8 1712/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 HDAC1 1481/4885HDAC3 1132/4885HDAC8 1712/4885

“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.