SCHEMBL20109348

SCHEMBL20109348

C=C(CC(=O)OCC)P1(=O)N(c2ccc(C)cc2)CCN1c1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.42
GAA P10253 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 4/20 0.40
ACHE P22303 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL17596429 0.96 ALDH1A1 (0.43) GAAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL17596721 0.93 MEN1 (0.42) GAAALDH1A1MAPTCYP2C19POLB
SCHEMBL20109142 0.86 GFER (0.43) GFERGAAALDH1A1MAPTACHE
SCHEMBL17596434 0.85 ALDH1A1 (0.43) GAAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL20113635 0.85 MAPT (0.44) GAAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL20113434 0.84 ALDH1A1 (0.42) GAAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL17596797 0.83 CASP3 (0.39) ALDH1A1MAPTLMNANPSR1MEN1
SCHEMBL17596725 0.83 GAA (0.40) GAAALDH1A1MAPTLMNAUSP2
SCHEMBL20113462 0.81 MEN1 (0.42) GAAALDH1A1MAPTCYP2C19LMNA
SCHEMBL17596723 0.81 MEN1 (0.42) GAAALDH1A1MAPTCYP2C19LMNA

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-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 (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-20180118770-A1 N-Heterocyclic Phosphines NANP, PPIP5K2, PHPT1 GFER 2292/4885GAA 4181/4885ALDH1A1 4621/4885

“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.