SCHEMBL20113735

SCHEMBL20113735

C=C(C(CC(=O)OCC)C(=O)OCC)P1(=O)SCCS1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRM1 P11229 1/20 0.35
ADORA1 P30542 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2D6 P10635 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
TRPA1 O75762 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
SCHEMBL20109194 0.84 ALDH1A1 (0.34) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL20113909 0.81 L3MBTL1 (0.33) ALDH1A1
SCHEMBL20113903 0.78 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL20113396 0.77 ALDH1A1 (0.33) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL4661806 0.73 MGAM (0.44) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL20113736 0.73 GAA (0.47) ALDH1A1ALOX15TSHRHSD17B10MGAM
SCHEMBL430204 0.73 MGAM (0.52) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL11550163 0.69 ALDH1A1 (0.40) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL6974108 0.69 MGAM (0.43) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL460011 0.68 MGAM (0.46) ALDH1A1CYP3A4ALOX15TSHRTDP1

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 4621/4885CYP3A4 2080/4885ALOX15 2243/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 ALDH1A1 4621/4885CYP3A4 2080/4885ALOX15 2243/4885

“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.