SCHEMBL10301540

SCHEMBL10301540

COc1cc(C(=O)CC(C)=O)cc(C(=O)CC(C)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL10301552 0.87 CYP3A4 (0.39) KDM4EGAAKMT2ACYP3A4CYP2D6
SCHEMBL2278242 0.82 CES2 (0.62) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL10475039 0.80 MKNK1 (0.44) KMT2AMEN1CYP3A4TDP1
SCHEMBL1374066 0.80 ALDH1A1 (0.64) KMT2AMAPK1ALDH1A1LMNAHSD17B10
SCHEMBL29153391 0.80 KDM4E (0.61) KDM4EGAAKMT2AMEN1CYP3A4
SCHEMBL10480836 0.79 KDM4E (0.56) KDM4EGAASMN1; SMN2MAPT
SCHEMBL9839394 0.78 SMN1; SMN2 (0.50) KDM4EGAACYP3A4CYP2C19SMN1; SMN2
SCHEMBL22498722 0.77 CYP3A4 (0.56) KMT2ACYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL27238307 0.77 GAA (0.49) KDM4EGAAKMT2AMEN1CYP3A4
SCHEMBL11247310 0.77 ALDH1A1 (0.65) KDM4EKMT2AMEN1CYP3A4CYP2C19

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-9156772-B2 Fluoride-releasing compositions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-13 US disclosed
US-20140088308-A1 Fluoride-Releasing Compositions BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2014-03-27 US disclosed
US-20120264939-A1 Fluoride-Releasing Compositions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-18 US disclosed
US-8217173-B2 Fluoride-releasing compositions BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2012-07-10 US disclosed
US-20100261902-A1 Fluoride-Releasing Compositions BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY (US) 2010-10-14 US 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 (3 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-20140088308-A1 Fluoride-Releasing Compositions CHERP, ORAI1, CAD KDM4E 3444/4885GAA 435/4885KMT2A 3397/4885
US-20120264939-A1 Fluoride-Releasing Compositions CHERP, ORAI1, CAD KDM4E 3444/4885GAA 435/4885KMT2A 3397/4885
US-20100261902-A1 Fluoride-Releasing Compositions CHERP, ORAI1, CAD KDM4E 3444/4885GAA 435/4885KMT2A 3397/4885

“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.