SCHEMBL20113546

SCHEMBL20113546

CCOC(=O)C/C(=C\C(C)C)P1(=N)N(c2ccccc2)CCN1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PPID Q08752 1/20 0.36
NLRP3 Q96P20 1/20 0.36
GAA P10253 3/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 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
SCHEMBL20113533 0.89 RAB9A (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2PPID
SCHEMBL20113527 0.89 RAB9A (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2PPID
SCHEMBL20109328 0.87 NPC1 (0.37) ALDH1A1NPC1RAB9ANLRP3GAA
SCHEMBL20113910 0.87 NPC1 (0.37) ALDH1A1NPC1RAB9ANLRP3GAA
SCHEMBL20113544 0.86 RAB9A (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2PPID
SCHEMBL20113529 0.86 MEN1 (0.45) ALDH1A1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL20113545 0.86 RAB9A (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2PPID
SCHEMBL20113528 0.84 HPGD (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2PPID
SCHEMBL20109238 0.81 TRPA1 (0.32) ALDH1A1MAPTL3MBTL1
SCHEMBL20113532 0.81 MAPT (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2PPID

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 4621/4885CYP1A2 3840/4885POLB 3495/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 ALDH1A1 4621/4885CYP1A2 3840/4885POLB 3495/4885

“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.