SCHEMBL2697713

SCHEMBL2697713

O=C(C=C(O)c1c2ccccc2cc2ccccc12)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP1A2 P05177 1/20 0.53
GLA P06280 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.41
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PTPN1 P18031 1/20 0.36
CES1 P23141 1/20 0.35
GPR35 Q9HC97 1/20 0.35
PLA2G2D Q9UNK4 1/20 0.34

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
SCHEMBL2697711 1.00 KMT2A (0.53) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL12063071 0.79 ALDH1A1 (0.53) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL979871 0.79 ALDH1A1 (0.53) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL979869 0.79 ALDH1A1 (0.53) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL2695931 0.79 NR4A1 (0.55) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL2695932 0.79 NR4A1 (0.55) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL26147200 0.79 NR4A1 (0.55) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL2695419 0.77 PLA2G2D (0.47) KDM4EALDH1A1HPGDCYP2C19CYP1A2
SCHEMBL2695416 0.77 PLA2G2D (0.47) KDM4EALDH1A1HPGDCYP2C19CYP1A2
SCHEMBL6081630 0.75 ALDH1A1 (0.59) KMT2AMEN1KDM4EALDH1A1HPGD

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-8580827-B2 Anti-Francisella agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-11-12 US disclosed
EP-2246332-B1 Pyrazole derivatives as anti-francisella agents UNIV OHIO STATE RES FOUND (US) 2013-09-18 EP disclosed
US-20130005788-A1 ANTI-FRANCISELLA AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-01-03 US disclosed
US-20120108823-A1 ANTI-FRANCISELLA AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-05-03 US disclosed
EP-2246332-A1 Pyrazole derivatives as anti-francisella agents The Ohio State University Research Foundation (US) 2010-11-03 EP 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-20130005788-A1 ANTI-FRANCISELLA AGENTS PTGS1, PTGS2, PTGES2 KMT2A 4339/4885MEN1 2449/4885KDM4E 3710/4885
US-20120108823-A1 ANTI-FRANCISELLA AGENTS PTGS1, PTGS2, PTGES2 KMT2A 4339/4885MEN1 2449/4885KDM4E 3710/4885

“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.