SCHEMBL19600796

SCHEMBL19600796

CCCCOCCc1cc(CC(=O)OCC)on1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.44
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
PPARG P37231 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NR4A1 P22736 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTGS2 P35354 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL25930328 0.89 TSHR (0.40) PPARATSHRMAPK1CYP1A2CYP2C9
SCHEMBL25603628 0.88 PPARA (0.52) PPARATSHRMAPK1SMN1; SMN2PPARG
SCHEMBL19600789 0.86 PPARA (0.53) PPARATSHRGAASMN1; SMN2ALDH1A1
SCHEMBL19598756 0.85 PPARA (0.45) PPARATSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL19580810 0.81 L3MBTL1 (0.41) MAPK1SMN1; SMN2ALDH1A1TDP1NPC1
SCHEMBL18256139 0.80 PPARA (0.43) PPARATSHRCYP1A2CYP2C9CYP2C19
SCHEMBL21405110 0.79 L3MBTL1 (0.40) PPARAMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL25602002 0.79 SMPD1 (0.47) PPARATSHRMAPK1CYP1A2CYP2C9
SCHEMBL19600794 0.79 PPARA (0.47) PPARATSHRMAPK1CYP1A2CYP2C9
SCHEMBL19600791 0.76 GAA (0.36) PPARATSHRCYP1A2CYP2C9CYP2C19

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-20170327469-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2017-11-16 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-20170327469-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, MDM2, ESRRA PPARA 1884/4885TSHR 1939/4885MAPK1 4210/4885

“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.