SCHEMBL1439488

SCHEMBL1439488

COc1cc(/C=C(\C(=O)O)c2ccc(F)cc2)cc(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
ALDH1A1 P00352 2/20 0.59
PTGS1 P23219 2/20 0.59
HTT P42858 1/20 0.56
POLB P06746 2/20 0.55
AKR1C3 P42330 4/20 0.55
AKR1C2 P52895 2/20 0.55
PTGS2 P35354 1/20 0.55
AKR1C1 Q04828 1/20 0.55
NQO2 P16083 3/20 0.51
MAOA P21397 1/20 0.47

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
SCHEMBL1439492 1.00 MEN1 (0.59) MEN1KMT2AALDH1A1PTGS1HTT
SCHEMBL27838696 0.89 MEN1 (0.64) MEN1KMT2AALDH1A1PTGS1POLB
SCHEMBL1439917 0.87 PTGS1 (0.58) MEN1KMT2AALDH1A1PTGS1NQO2
SCHEMBL1439916 0.87 PTGS1 (0.58) MEN1KMT2AALDH1A1PTGS1HTT
SCHEMBL3793636 0.87 MEN1 (0.61) MEN1KMT2AALDH1A1PTGS1POLB
SCHEMBL3793631 0.87 MEN1 (0.61) MEN1KMT2AALDH1A1PTGS1POLB
SCHEMBL3802163 0.87 MEN1 (0.61) MEN1KMT2AALDH1A1PTGS1POLB
SCHEMBL4659518 0.85 MEN1 (0.59) MEN1KMT2AALDH1A1PTGS1POLB
SCHEMBL4659524 0.85 MEN1 (0.59) MEN1KMT2AALDH1A1PTGS1POLB
SCHEMBL3044137 0.83 MEN1 (0.74) MEN1KMT2AALDH1A1HTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263044-B2 Stilbene like compounds as novel HDAC inhibitors ORCHID RESEARCH LABORATORIES LIMITED (IN) 2012-09-11 US disclosed
US-8263044-B2 Stilbene like compounds as novel HDAC inhibitors ORCHID RESEARCH LABORATORIES LIMITED (IN) 2012-09-11 US disclosed
US-8263044-B2 Stilbene like compounds as novel HDAC inhibitors ORCHID RESEARCH LABORATORIES LIMITED (IN) 2012-09-11 US disclosed
WO-2007054776-A9 STILBENE LIKE COMPOUNDS AS NOVEL HDAC INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-03-03 WO disclosed
WO-2007054776-A9 STILBENE LIKE COMPOUNDS AS NOVEL HDAC INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-03-03 WO disclosed
US-20090136431-A1 Stilbene Like Compounds as Novel HDAC Inhibitors ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-05-28 US disclosed
US-20090136431-A1 Stilbene Like Compounds as Novel HDAC Inhibitors ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-05-28 US disclosed
US-20090136431-A1 Stilbene Like Compounds as Novel HDAC Inhibitors ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-05-28 US disclosed
WO-2007054776-A2 STILBENE LIKE COMPOUNDS AS NOVEL HDAC INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-05-18 WO disclosed
WO-2007054776-A2 STILBENE LIKE COMPOUNDS AS NOVEL HDAC INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-05-18 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-20090136431-A1 Stilbene Like Compounds as Novel HDAC Inhibitors HDAC1, HDAC5, HDAC11 MEN1 3883/4885KMT2A 265/4885ALDH1A1 205/4885

“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.