SCHEMBL503883

SCHEMBL503883

O=C(O)Cc1c(C(=O)O)c2cc(Oc3ccc(OC(F)(F)F)cc3)ccc2n1-c1ccc(OC2CCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.41
PPARA Q07869 2/20 0.38
PPARG P37231 2/20 0.38
USP14 P54578 1/20 0.37
FAAH O00519 4/20 0.37
PDE4B Q07343 4/20 0.36
PDE4D Q08499 3/20 0.36
PPARD Q03181 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
EGLN1 Q9GZT9 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
SCHEMBL504103 0.99 EPHX2 (0.41) EPHX2PPARAPPARGUSP14FAAH
SCHEMBL504146 0.93 USP14 (0.41) EPHX2USP14MEN1KMT2AKDM4E
SCHEMBL503508 0.92 MEN1 (0.41) EPHX2USP14MEN1KMT2AKDM4E
SCHEMBL504228 0.87 EPHX2 (0.39) EPHX2PPARAPPARGUSP14FAAH
SCHEMBL10076916 0.87 PPARG (0.47) EPHX2PPARAPPARGUSP14MEN1
SCHEMBL10051929 0.86 USP14 (0.39) USP14MEN1KMT2APTGDR2KDM4E
SCHEMBL334825 0.86 USP14 (0.43) EPHX2PPARAPPARGUSP14PPARD
SCHEMBL333611 0.85 PPARG (0.47) PPARAPPARGUSP14MEN1KMT2A
SCHEMBL333774 0.85 PPARG (0.46) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL503816 0.85 KDM4E (0.44) EPHX2PPARAPPARGUSP14FAAH

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 EPHX2 973/4885PPARA 1860/4885PPARG 3260/4885

“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.