SCHEMBL20113627

SCHEMBL20113627

C=C(C(Cc1ccc(C(F)(F)F)cc1)C(=O)OCC)P1(=O)OCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.44
EPHX2 P34913 4/20 0.44
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MMP8 P22894 1/20 0.38
PPARA Q07869 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
POLB P06746 2/20 0.35
FFAR1 O14842 1/20 0.35
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
CRHBP P24387 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR2 Q13324 1/20 0.35
TRPM2 O94759 1/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL20113625 0.87 PPARG (0.41) PPARGEPHX2KDM4EALDH1A1MMP8
SCHEMBL20109172 0.87 MMP8 (0.41) PPARGEPHX2ALDH1A1MMP8PPARA
SCHEMBL20113453 0.86 EPHX2 (0.41) PPARGEPHX2KDM4EALDH1A1MMP8
SCHEMBL20113526 0.85 MMP8 (0.53) PPARGEPHX2ALDH1A1MMP8POLB
SCHEMBL20113726 0.82 PPARG (0.44) PPARGEPHX2KDM4EALDH1A1MMP8
SCHEMBL27686858 0.80 PPARG (0.57) PPARGEPHX2KDM4EALDH1A1MMP8
SCHEMBL20113397 0.77 ALDH1A1 (0.39) ALDH1A1MMP8MAPT
SCHEMBL17596788 0.77 MMP8 (0.41) PPARGEPHX2KDM4EALDH1A1MMP8
SCHEMBL15246756 0.77 PPARG (0.54) PPARGEPHX2KDM4EALDH1A1MMP8
SCHEMBL15647978 0.76 PPARG (0.53) PPARGEPHX2KDM4EALDH1A1MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633403-B2 N-heterocyclic phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA (US) 2020-04-28 US disclosed
US-20180118770-A1 N-Heterocyclic Phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-05-03 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-20180118770-A1 N-Heterocyclic Phosphines NANP, PPIP5K2, PHPT1 PPARG 2938/4885EPHX2 2575/4885KDM4E 3603/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 PPARG 2938/4885EPHX2 2575/4885KDM4E 3603/4885

“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.