SCHEMBL20113625

SCHEMBL20113625

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.41
EPHX2 P34913 1/20 0.41
MMP8 P22894 1/20 0.40
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX12 P18054 1/20 0.36
CCR6 P51684 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
CYP1A2 P05177 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 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
SCHEMBL20109172 0.90 MMP8 (0.41) PPARGEPHX2MMP8MAPTALDH1A1
SCHEMBL20113453 0.89 EPHX2 (0.41) PPARGEPHX2MMP8MAPTALDH1A1
SCHEMBL20113526 0.88 MMP8 (0.53) PPARGEPHX2MMP8MAPTALDH1A1
SCHEMBL20113627 0.87 PPARG (0.44) PPARGEPHX2MMP8MAPTALDH1A1
SCHEMBL20113733 0.81 PPARG (0.41) PPARGEPHX2MMP8MAPTALDH1A1
SCHEMBL20113397 0.80 ALDH1A1 (0.39) MMP8MAPTALDH1A1HPGDLMNA
SCHEMBL7436472 0.79 MMP8 (0.54) PPARGEPHX2MMP8MAPTALDH1A1
SCHEMBL20109174 0.77 ALDH1A1 (0.34) MMP8MAPTALDH1A1HPGDMEN1
SCHEMBL3989322 0.76 MMP8 (0.55) PPARGEPHX2MMP8MAPTALDH1A1
SCHEMBL20109357 0.76 MMP8 (0.43) PPARGEPHX2MMP8MAPTALDH1A1

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 2575/4885MMP8 4444/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 PPARG 2938/4885EPHX2 2575/4885MMP8 4444/4885

“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.