SCHEMBL4748933

SCHEMBL4748933

COc1cc(C(C)=O)ccc1OC1CCCCO1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.54
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PTPN1 P18031 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PDE4D Q08499 5/20 0.46
PDE4A P27815 4/20 0.46
PDE4C Q08493 4/20 0.46
ALDH1A1 P00352 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
TPMT P51580 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CREBBP Q92793 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
SCHEMBL3606707 0.91 PDE4B (0.64) PDE4BMEN1KMT2APTPN1PDE4D
SCHEMBL5619093 0.86 PDE4B (0.47) PDE4BMEN1KMT2APTPN1NPC1
SCHEMBL10432719 0.84 PDE4B (0.46) PDE4BMEN1KMT2APTPN1NPC1
SCHEMBL7384113 0.81 PDE4B (0.62) PDE4BMEN1KMT2APDE4DPDE4A
SCHEMBL11959784 0.80 ABCG2 (0.63) PDE4BMEN1KMT2APTPN1PDE4D
SCHEMBL13311132 0.80 MEN1 (0.49) PDE4BMEN1KMT2APTPN1NPC1
SCHEMBL7235885 0.80 ACHE (0.49) PDE4BPTPN1NPC1RAB9AALDH1A1
SCHEMBL7772633 0.80 ACHE (0.49) PDE4BPTPN1NPC1RAB9AALDH1A1
SCHEMBL3062913 0.79 KMT2A (0.48) PDE4BMEN1KMT2ANPC1RAB9A
SCHEMBL2891959 0.79 PDE4B (0.43) PDE4BMEN1KMT2APTPN1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2963007-B1 Synthesis of Calebin-A and its biologically active analogs MAJEED MUHAMMED (US) 2019-10-09 EP disclosed
US-9365486-B2 Synthesis of calebin-A and its biologically active analogs SAMI LABS LIMITED (IN) 2016-06-14 US disclosed
US-20160002141-A1 SYNTHESIS OF CALEBIN-A AND ITS BIOLOGICALLY ACTIVE ANALOGS SAMI LABS LIMITED (IN) 2016-01-07 US disclosed
EP-2963007-A1 Synthesis of Calebin-A and its biologically active analogs Majeed, Muhammed (US) 2016-01-06 EP disclosed
WO-2008135886-A2 QUINOLINE DERIVATIVES FOR USE IN THE INHIBITION OF THE GROWTH OF TUMOUR CELLS UNIVERSITY OF PRETORIA (ZA) 2008-11-13 WO disclosed
WO-2008135886-A2 QUINOLINE DERIVATIVES FOR USE IN THE INHIBITION OF THE GROWTH OF TUMOUR CELLS UNIVERSITY OF PRETORIA (ZA) 2008-11-13 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-20160002141-A1 SYNTHESIS OF CALEBIN-A AND ITS BIOLOGICALLY ACTIVE ANALOGS CALD1, TFEB, CALU PDE4B 2024/4885MEN1 2313/4885KMT2A 3616/4885

“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.