SCHEMBL20113396

SCHEMBL20113396

C=C(C(CC(=O)OCC)C(=O)OCC)P1(=O)OCCO1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.33
TSHR P16473 3/20 0.33
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
ADORA1 P30542 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL20109170 0.84 GAA (0.33) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL20113537 0.81 ALDH1A1 (0.32) ALDH1A1HSD17B10MAPTHPGDCYP1A2
SCHEMBL20109164 0.79 ZDHHC7 (0.35) TSHRTDP1MAPTKMT2A
SCHEMBL20113542 0.78 ALDH1A1 (0.36) ALDH1A1TSHRCYP3A4HSD17B10GAA
SCHEMBL20113735 0.77 ALDH1A1 (0.36) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL20113453 0.75 EPHX2 (0.41) ALDH1A1CYP3A4HSD17B10GAAMAPT
SCHEMBL20113625 0.74 PPARG (0.41) ALDH1A1HSD17B10GAAMAPTHPGD
SCHEMBL4661806 0.73 MGAM (0.44) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL430204 0.73 MGAM (0.52) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL20113627 0.72 PPARG (0.44) ALDH1A1MAPTPOLBKMT2ANPSR1

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 4125/4885CYP3A4 2080/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 ALDH1A1 4621/4885TSHR 4125/4885CYP3A4 2080/4885

“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.