SCHEMBL5954517

SCHEMBL5954517

CCOC(=O)C1(Nc2ccc(Oc3ccccc3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
HPGD P15428 2/20 0.58
NPC1 O15118 2/20 0.58
CRHBP P24387 1/20 0.58
CRHR2 Q13324 1/20 0.58
MAPT P10636 5/20 0.51
ALDH1A1 P00352 4/20 0.51
LMNA P02545 2/20 0.51
THRB P10828 1/20 0.51
ADAM17 P78536 1/20 0.49
FPR2 P25090 1/20 0.47
SCN9A Q15858 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 1/20 0.45
RNF4 P78317 1/20 0.43
NPY5R Q15761 1/20 0.43
MAPK1 P28482 1/20 0.43
OPRM1 P35372 1/20 0.43
PGR P06401 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL5333674 0.89 OPRM1 (0.49) MAPTALDH1A1LMNATHRBSMN1; SMN2
SCHEMBL5954820 0.81 HPGD (0.50) RAB9AHPGDNPC1CRHBPCRHR2
SCHEMBL1035137 0.80 OPRM1 (0.60) MAPTLMNASMN1; SMN2OPRM1MEN1
SCHEMBL11563510 0.75 OPRM1 (0.45) MAPTALDH1A1LMNASMN1; SMN2OPRM1
SCHEMBL25492303 0.75 GAA (0.44) MAPTLMNATHRBADAM17SMN1; SMN2
SCHEMBL2985764 0.74 CYP2D6 (0.60) ALDH1A1LMNASMN1; SMN2HTTOPRM1
SCHEMBL11565880 0.74 OPRM1 (0.57) ALDH1A1LMNASMN1; SMN2HTTMAPK1
SCHEMBL11563599 0.74 OPRM1 (0.50) RAB9AHPGDMAPTALDH1A1LMNA
SCHEMBL9091689 0.74 RAB9A (1.00) RAB9AHPGDNPC1CRHBPCRHR2
Hydrochloric Acid SCHEMBL11455428 0.74 CYP2D6 (0.58) ALDH1A1LMNASMN1; SMN2HTTOPRM1

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-20060025589-A1 2-Thiohydantoine derivative compounds and use thereof for the treatment of diabetes LABORATOIRES FOURNIER S.A. (FR) 2006-02-02 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-20060025589-A1 2-Thiohydantoine derivative compounds and use thereof for the treatment of diabetes LIPC, CYP4F2, SLC5A2 RAB9A 3994/4885HPGD 892/4885NPC1 206/4885

“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.