SCHEMBL10116432

SCHEMBL10116432

CC(C)CCCCc1cc2cc(Cl)ccc2n1C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 6/20 0.44
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
PHGDH O43175 6/20 0.37
PPARG P37231 3/20 0.37
PPARD Q03181 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PPARA Q07869 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL287263 0.82 OXER1 (0.54) OXER1
SCHEMBL3699735 0.82 OXER1 (0.54) OXER1
SCHEMBL20014473 0.82 OXER1 (0.47) OXER1PHGDHPPARGPPARDRXFP1
SCHEMBL18113010 0.81 OXER1 (0.42) OXER1PHGDHPPARGPPARDRXFP1
SCHEMBL25778964 0.81 OXER1 (0.42) OXER1PHGDHPPARGPPARDRXFP1
SCHEMBL25777910 0.81 OXER1 (0.45) OXER1PHGDHPPARGPPARDRXFP1
SCHEMBL18113212 0.81 OXER1 (0.45) OXER1PHGDHPPARGPPARDRXFP1
SCHEMBL25777912 0.80 PHGDH (0.43) OXER1PHGDHPPARGPPARDPPARA
SCHEMBL25778965 0.79 OXER1 (0.44) OXER1HTR2AHTR2CPPARGPPARD
SCHEMBL18112910 0.79 OXER1 (0.49) OXER1PPARGPPARDPPARAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 OXER1 1/4885HTR2A 395/4885HTR2C 258/4885

“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.