SCHEMBL3701458

SCHEMBL3701458

CCCCCCCc1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.57
SIRT1 Q96EB6 2/20 0.50
GHSR Q92847 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CTSV O60911 1/20 0.48
CTSL P07711 1/20 0.48
GPR84 Q9NQS5 9/20 0.44
PYGL P06737 1/20 0.42
F7 P08709 1/20 0.41
F3 P13726 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
SCHEMBL3698687 1.00 LOXL2 (0.57) LOXL2SIRT1GHSRSMN1; SMN2CTSV
SCHEMBL287170 0.88 ALOX15 (0.51) LOXL2GHSRCTSVCTSLGPR84
SCHEMBL3694098 0.82 LOXL2 (0.54) LOXL2SIRT1SMN1; SMN2PYGLF7
SCHEMBL28285787 0.81 GHSR (0.48) GHSRCTSVCTSLGPR84
SCHEMBL1461108 0.81 GHSR (0.47) GHSRCTSVCTSLGPR84
SCHEMBL2056276 0.80 LOXL2 (0.68) LOXL2SIRT1SMN1; SMN2F7F3
SCHEMBL10593440 0.80 SIRT1 (0.56) LOXL2SIRT1SMN1; SMN2F7F3
SCHEMBL866136 0.79 LOXL2 (0.72) LOXL2SIRT1SMN1; SMN2PYGLF7
SCHEMBL9278047 0.79 GPR84 (0.50) GHSRCTSVCTSLGPR84
SCHEMBL1459106 0.79 GHSR (0.46) LOXL2GHSRCTSVCTSLGPR84

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-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

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 LOXL2 120/4885SIRT1 3590/4885GHSR 1072/4885
US-20140323535-A1 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS OXER1, PTGIR, EDNRA LOXL2 120/4885SIRT1 3590/4885GHSR 1072/4885

“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.