SCHEMBL5329580

SCHEMBL5329580

COc1ccc(C2(O)CCCC(C(=O)O)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
HSD11B1 P28845 2/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
CNR2 P34972 1/20 0.41
SLC6A12 P48065 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRM3 Q14832 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SLC6A11 P48066 3/20 0.40
SLC6A4 P31645 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL11515052 0.81 EPHX2 (0.44) HSD11B1ATML3MBTL1OPRM1OPRD1
SCHEMBL26103418 0.80 GAA (0.46) GAAHSD11B1ATML3MBTL1OPRM1
SCHEMBL9753437 0.76 HTT (0.46) OPRM1OPRK1OPRL1
SCHEMBL8347525 0.75 ATM (0.48) GAAHSD11B1ATML3MBTL1OPRM1
SCHEMBL12317609 0.75 OPRM1 (0.55) HSD11B1OPRM1OPRD1OPRK1OPRL1
SCHEMBL10319703 0.75 OPRM1 (0.55) HSD11B1OPRM1OPRD1OPRK1OPRL1
SCHEMBL2722368 0.75 ATM (0.50) ATML3MBTL1CNR2GRIN2BSMN1; SMN2
SCHEMBL8582313 0.74 KDM4E (0.38) GAAHSD11B1ATML3MBTL1SLC6A12
SCHEMBL29151340 0.73 SLC6A4 (0.54) HSD11B1OPRM1OPRD1OPRK1OPRL1
SCHEMBL21874209 0.73 SLC6A4 (0.54) HSD11B1OPRM1OPRD1OPRK1OPRL1

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
WO-2007103719-A2 MODULATORS OF 11-β HYDROXYL STEROID DEHYDROGENASE TYPE 1, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2007-09-13 WO disclosed
US-20070208001-A1 Modulators of 11- beta hydroxyl steroid dehydrogenase type 1, pharmaceutical compositions thereof, and methods of using the same INCYTE CORPORATION 2007-09-06 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-20070208001-A1 Modulators of 11- beta hydroxyl steroid dehydrogenase type 1, pharmaceutical compositions thereof, and methods of using the same HSD11B1, HSD17B1, HSD3B1 GAA 411/4885HSD11B1 1/4885ATM 4692/4885

“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.