SCHEMBL3697104

SCHEMBL3697104

CCCC/C=C/c1c[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.51
MEN1 O00255 10/20 0.51
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
USP2 O75604 3/20 0.51
APOBEC3A P31941 2/20 0.51
APOBEC3G Q9HC16 2/20 0.51
CYP2A6 P11509 1/20 0.49
IMPDH2 P12268 1/20 0.49
MAPT P10636 9/20 0.48
LMNA P02545 4/20 0.48
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46

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
SCHEMBL3697106 1.00 KMT2A (0.51) KMT2AMEN1RAB9ANPC1USP2
SCHEMBL27854157 0.95 KMT2A (0.50) KMT2AMEN1RAB9ANPC1USP2
SCHEMBL28550147 0.92 MEN1 (0.55) KMT2AMEN1RAB9ANPC1USP2
SCHEMBL6159319 0.83 MEN1 (0.56) KMT2AMEN1RAB9ANPC1USP2
SCHEMBL256668 0.83 MEN1 (0.56) KMT2AMEN1RAB9ANPC1USP2
SCHEMBL20309510 0.78 MEN1 (0.54) KMT2AMEN1RAB9ANPC1USP2
SCHEMBL10489040 0.77 CYP2A6 (0.69) KMT2AMEN1RAB9ANPC1USP2
SCHEMBL8614017 0.77 CYP2A6 (0.55) KMT2AMEN1RAB9ANPC1USP2
SCHEMBL21306521 0.77 MEN1 (0.56) KMT2AMEN1RAB9ANPC1USP2
SCHEMBL12425727 0.77 CYP2A6 (0.55) KMT2AMEN1RAB9ANPC1USP2

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
US-9464048-B2 5-oxo-ETE receptor antagonist compounds FLORIDA INSTITUTE OF TECHNOLOGY (US) 2016-10-11 US disclosed
US-20140323535-A1 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2014-10-30 US disclosed
EP-2427430-B1 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS UNIV MCGILL (CA) 2014-09-10 EP disclosed
US-8809382-B2 5-oxo-ETE receptor antagonist compounds THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2014-08-19 US disclosed
US-20120122942-A1 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS FLORIDA INSTITUTE OF TECHNOLOGY 2012-05-17 US disclosed
US-7320993-B1 Aryl-substituted pyridylalkane, alkene, and alkine carboxamides useful as cytostatic useful as cytostatic and immuosuppressive agents ASTELLAS DEUTSCHLAND GMBH (DE) 2008-01-22 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 (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-20120122942-A1 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS OXER1, PTGIR, EDNRA KMT2A 3676/4885MEN1 4809/4885RAB9A 3342/4885
US-20140323535-A1 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS OXER1, PTGIR, EDNRA KMT2A 3676/4885MEN1 4809/4885RAB9A 3342/4885

“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.