SCHEMBL19600794

SCHEMBL19600794

CCCCOCCc1cc(CCO)on1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.47
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 2/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
SLCO1B3 Q9NPD5 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34

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
SCHEMBL18256139 0.86 PPARA (0.43) PPARATSHRALDH1A1CYP3A4SMN1; SMN2
SCHEMBL18256072 0.83 PPARA (0.43) PPARATSHRALDH1A1CYP3A4KMT2A
SCHEMBL19600789 0.82 PPARA (0.53) PPARATSHRALDH1A1CYP3A4THRB
SCHEMBL19598757 0.81 PPARA (0.49) PPARATSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL8156710 0.76 PPARA (0.40) PPARATSHRALDH1A1CYP3A4SMN1; SMN2
SCHEMBL18256179 0.76 PPARA (0.43) PPARATSHRALDH1A1KMT2ASMN1; SMN2
SCHEMBL21664674 0.75 PPARA (0.36) PPARAMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL19580961 0.74 CYP4F2 (0.39) TSHRALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL22266387 0.74 MAPT (0.34) PPARATSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL13482495 0.73 TSHR (0.48) TSHRALDH1A1CYP3A4MEN1KMT2A

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 1939/4885ALDH1A1 514/4885

“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.