SCHEMBL3175155

SCHEMBL3175155

COc1cc(CC(C)C(=O)O)ccc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 1/20 0.69
TTR P02766 1/20 0.69
JUN P05412 1/20 0.69
NR3C1 P04150 1/20 0.69
HSD17B1 P14061 1/20 0.69
HSD17B2 P37059 1/20 0.69
ALOX15 P16050 3/20 0.63
ALOX12 P18054 3/20 0.63
TSHR P16473 3/20 0.62
GAA P10253 2/20 0.62
ALDH1A1 P00352 1/20 0.62
NFKB1 P19838 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
MMP1 P03956 1/20 0.60
CYP3A4 P08684 1/20 0.60
LDHA P00338 1/20 0.58
ALOX5 P09917 1/20 0.54
OR51E2 Q9H255 1/20 0.54
TAAR1 Q96RJ0 2/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL22108693 1.00 FOS (0.69) FOSTTRJUNNR3C1HSD17B1
SCHEMBL30417396 0.88 FOS (0.69) FOSTTRJUNNR3C1HSD17B1
SCHEMBL12775269 0.88 FOS (0.69) FOSTTRJUNNR3C1HSD17B1
SCHEMBL18082680 0.87 LDHA (0.76) FOSTTRJUNNR3C1HSD17B1
SCHEMBL491190 0.87 LDHA (0.76) FOSTTRJUNNR3C1HSD17B1
SCHEMBL9781691 0.87 LDHA (0.76) FOSTTRJUNNR3C1HSD17B1
SCHEMBL27952348 0.85 FOS (0.61) FOSTTRJUNNR3C1HSD17B1
SCHEMBL12775014 0.85 FOS (0.65) FOSTTRJUNNR3C1HSD17B1
SCHEMBL2454609 0.84 KDM6B (0.66) FOSTTRJUNNR3C1HSD17B1
SCHEMBL31167480 0.84 KDM6B (0.66) FOSTTRJUNNR3C1HSD17B1

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-20240100072-A1 SUBCUTANEOUSLY ADMINISTERED TREATMENTS FOR ADVANCED PARKINSON'S DISEASE ABBVIE INC. 2024-03-28 US disclosed
US-20100028901-A1 METHOD FOR DIAGNOSING IN VITRO OR EX VIVO PSYCHIATRIC DISORDERS AND/OR INTESTINAL DYSBIOSES AURE (FR) 2010-02-04 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-20240100072-A1 SUBCUTANEOUSLY ADMINISTERED TREATMENTS FOR ADVANCED PARKINSON'S DISEASE SNCA, PARK7, SMN1; SMN2 FOS 4630/4885TTR 59/4885JUN 4552/4885
US-20100028901-A1 METHOD FOR DIAGNOSING IN VITRO OR EX VIVO PSYCHIATRIC DISORDERS AND/OR INTESTINAL DYSBIOSES DBH, CRH, SI FOS 1195/4885TTR 1490/4885JUN 4292/4885

“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.