SCHEMBL503816

SCHEMBL503816

O=C(O)Cc1c(C(=O)O)c2cc(Oc3ccc(OC(F)(F)F)cc3)ccc2n1-c1ccc(NCC2CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
EGLN1 Q9GZT9 2/20 0.39
CTSS P25774 7/20 0.36
CTSL P07711 6/20 0.36
CTSK P43235 5/20 0.36
USP14 P54578 1/20 0.36
EPHX2 P34913 5/20 0.36
LTA4H P09960 1/20 0.36
EPHX1 P07099 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
IDH1 O75874 1/20 0.35
CHRM4 P08173 1/20 0.35
FAAH O00519 1/20 0.35

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
SCHEMBL504228 0.88 EPHX2 (0.39) KDM4EALDH1A1POLBEGLN1USP14
SCHEMBL504103 0.86 EPHX2 (0.41) KDM4EALDH1A1POLBUSP14EPHX2
SCHEMBL503883 0.85 EPHX2 (0.41) KDM4EEGLN1USP14EPHX2PPARG
SCHEMBL504299 0.84 FFAR1 (0.46) EPHX2LTA4HPPARGPPARA
SCHEMBL334825 0.83 USP14 (0.43) KDM4EUSP14EPHX2PPARGPPARA
SCHEMBL10076916 0.83 PPARG (0.47) KDM4EALDH1A1USP14EPHX2LTA4H
SCHEMBL503817 0.81 MEN1 (0.37) KDM4EALDH1A1EGLN1CTSSCTSL
SCHEMBL333611 0.81 PPARG (0.47) KDM4EALDH1A1USP14PPARGPPARA
SCHEMBL333774 0.81 PPARG (0.46) PPARGPPARA
SCHEMBL504356 0.81 PPARG (0.42) KDM4EUSP14PPARGPPARA

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-20120029016-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SW) 2012-02-02 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-20120029016-A1 Indoles Useful in the Treatment of Inflammation LTC4S, LTB4R2, LTB4R KDM4E 1630/4885ALDH1A1 816/4885POLB 3047/4885

“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.