SCHEMBL20201438

SCHEMBL20201438

C=CCC(C(=O)OCC)P(C)(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
TSHR P16473 3/20 0.39
ALOX15 P16050 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL2991456 0.78 POLB (0.42) ALDH1A1TSHRALOX15CYP2D6CYP2C9
SCHEMBL20201445 0.76 GRIK1 (0.38) CYP2C19CPA1
SCHEMBL11134509 0.75 ALDH1A1 (0.37) ALDH1A1TSHRALOX15TDP1NPSR1
SCHEMBL793641 0.74 ALDH1A1 (0.40) ALDH1A1TSHRALOX15TDP1NPSR1
SCHEMBL891773 0.74 CPA1 (0.42) ALDH1A1TSHRALOX15NPSR1LMNA
SCHEMBL17280333 0.73 ALDH1A1 (0.57) ALDH1A1TSHRALOX15CYP2D6CYP2C9
SCHEMBL18465494 0.72 ALDH1A1 (0.39) ALDH1A1TSHRALOX15CYP2D6CYP2C9
SCHEMBL356446 0.72 ALDH1A1 (0.39) ALDH1A1TSHRALOX15CYP2D6CYP2C9
SCHEMBL2878558 0.72 ALDH1A1 (0.39) ALDH1A1TSHRALOX15CYP2D6CYP2C9
SCHEMBL8971224 0.72 ALDH1A1 (0.39) ALDH1A1TSHRALOX15CYP2D6CYP2C9

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-20180147219-A1 ENOLASE INHIBITORS AND METHODS OF TREATMENT THEREWITH BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2018-05-31 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-20180147219-A1 ENOLASE INHIBITORS AND METHODS OF TREATMENT THEREWITH ENO1, ECE1, ECI1 ALDH1A1 488/4885TSHR 2204/4885ALOX15 2132/4885

“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.