SCHEMBL20113631

SCHEMBL20113631

C=C(C(CC(=O)OCC)C(=O)OCC)P1(=N)N(c2ccccc2)CCN1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP8 P22894 1/20 0.36
GAA P10253 3/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.35
PIN1 Q13526 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
SCHEMBL17595871 0.87 ALDH1A1 (0.43) ALDH1A1TSHRTDP1NPC1MEN1
SCHEMBL17595869 0.87 ALDH1A1 (0.43) ALDH1A1TSHRTDP1NPC1MEN1
SCHEMBL20109256 0.87 ALDH1A1 (0.41) ALDH1A1TSHRNPC1GAAMAPT
SCHEMBL20113431 0.86 ALDH1A1 (0.43) ALDH1A1TSHRTDP1NPC1MEN1
SCHEMBL20113547 0.86 MMP8 (0.49) ALDH1A1TSHRTDP1NPC1MMP8
SCHEMBL20113534 0.85 OPRD1 (0.36) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL20113538 0.84 ALDH1A1 (0.39) ALDH1A1TSHRNPC1MEN1KMT2A
SCHEMBL20109247 0.84 MMP8 (0.44) ALDH1A1TDP1MEN1KMT2AMMP8
SCHEMBL20109253 0.84 TDP1 (0.42) ALDH1A1TDP1MEN1KMT2AL3MBTL1
SCHEMBL20113465 0.82 MMP8 (0.42) ALDH1A1MEN1KMT2AMMP8GAA

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 ALDH1A1 4621/4885TSHR 4125/4885TDP1 2513/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 ALDH1A1 4621/4885TSHR 4125/4885TDP1 2513/4885

“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.