SCHEMBL7745292

SCHEMBL7745292

CC(=O)CC(=O)CC(=O)Nc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.71
NAPRT Q6XQN6 1/20 0.55
HSD17B10 Q99714 1/20 0.55
EPHX2 P34913 1/20 0.53
KDM1A O60341 1/20 0.53
GAA P10253 1/20 0.53
SCN1A P35498 1/20 0.53
SCN2A Q99250 1/20 0.53
SCN3A Q9NY46 1/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
HIF1A Q16665 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 1/20 0.50
HPGD P15428 1/20 0.50
HDAC3 O15379 1/20 0.50

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
SCHEMBL14914 0.90 MAPT (0.85) MAPTNAPRTHSD17B10EPHX2KDM1A
SCHEMBL9121361 0.90 MAPT (0.85) MAPTNAPRTHSD17B10EPHX2KDM1A
SCHEMBL27538195 0.90 EPHX2 (0.63) MAPTEPHX2KDM1AGAASCN1A
SCHEMBL28996270 0.88 MAPT (0.82) MAPTNAPRTHSD17B10EPHX2KDM1A
SCHEMBL8849064 0.88 MAPT (0.82) MAPTNAPRTHSD17B10EPHX2KDM1A
Bromide SCHEMBL27974437 0.88 MAPT (0.82) MAPTNAPRTHSD17B10EPHX2KDM1A
Hydrochloric Acid SCHEMBL28406796 0.88 MAPT (0.82) MAPTNAPRTHSD17B10EPHX2KDM1A
SCHEMBL587369 0.88 MAPT (0.82) MAPTNAPRTHSD17B10EPHX2KDM1A
Potassium SCHEMBL30309050 0.88 MAPT (0.82) MAPTNAPRTHSD17B10EPHX2KDM1A
Methane SCHEMBL28009609 0.88 MAPT (0.82) MAPTNAPRTHSD17B10EPHX2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160355465-A1 NOVEL MODIFIED CURCUMINS AND THEIR USES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2016-12-08 US disclosed
US-20140275271-A1 NOVEL MODIFIED CURCUMINS AND THEIR USES THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2014-09-18 US disclosed
EP-2768797-A1 NOVEL MODIFIED CURCUMINS AND THEIR USES The Research Foundation Of State University Of New York (US) 2014-08-27 EP disclosed
WO-2013059203-A1 NOVEL MODIFIED CURCUMINS AND THEIR USES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2013-04-25 WO disclosed
WO-2001000684-A1 LIQUID OLIGOMERS CONTAINING UNSATURATION ASHLAND INC. (US) 2001-01-04 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-20160355465-A1 NOVEL MODIFIED CURCUMINS AND THEIR USES NFKBIA, NFKB1, NFKB2 MAPT 4325/4885NAPRT 1948/4885HSD17B10 3122/4885
US-20140275271-A1 NOVEL MODIFIED CURCUMINS AND THEIR USES NFKBIA, NFKB1, NFKB2 MAPT 4325/4885NAPRT 1948/4885HSD17B10 3122/4885

“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.