SCHEMBL20109145

SCHEMBL20109145

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TSHR P16473 3/20 0.41
GLA P06280 1/20 0.37
GAA P10253 3/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL20109225 0.87 ALDH1A1 (0.41) ALDH1A1TSHRGLAGAAMAPT
SCHEMBL20109256 0.87 ALDH1A1 (0.41) ALDH1A1TSHRGLAGAAMAPT
SCHEMBL17595869 0.87 ALDH1A1 (0.43) ALDH1A1TSHRGAAHPGDMAPT
SCHEMBL17596436 0.84 GAA (0.39) ALDH1A1TSHRGAAHPGDMAPT
SCHEMBL20109280 0.81 GAA (0.39) ALDH1A1TSHRGAAMAPTNPC1
SCHEMBL20109272 0.81 GAA (0.40) ALDH1A1TSHRGAAMAPTNPC1
SCHEMBL17596725 0.80 GAA (0.40) ALDH1A1GAAHPGDMAPTL3MBTL1
SCHEMBL17596810 0.80 MMP8 (0.48) ALDH1A1TSHRGAAHPGDMAPT
SCHEMBL20109319 0.79 NOTUM (0.43) ALDH1A1GAAMAPTSMN1; SMN2L3MBTL1
SCHEMBL20109328 0.78 NPC1 (0.37) ALDH1A1TSHRGAAHPGDMAPT

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 ALDH1A1 4621/4885TSHR 4125/4885GLA 3278/4885

“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.