SCHEMBL13698908

SCHEMBL13698908

COC(=O)N[C@H]1CC[C@@H](C)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.55
GAA P10253 2/20 0.45
ALDH1A1 P00352 3/20 0.44
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
TAS1R2 Q8TE23 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ADRA2A P08913 1/20 0.41
MAPK1 P28482 2/20 0.40
HPGD P15428 1/20 0.40
GFER P55789 1/20 0.40
LMNA P02545 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL12385850 1.00 EPHX1 (0.55) EPHX1GAAALDH1A1TAS1R3TAS1R1
SCHEMBL5949945 1.00 EPHX1 (0.55) EPHX1GAAALDH1A1TAS1R3TAS1R1
SCHEMBL8464579 0.91 EPHX1 (0.46) EPHX1ALDH1A1KDM4ERAB9ANPC1
SCHEMBL2050427 0.91
SCHEMBL13647683 0.89 KMT2A (0.47) EPHX1GAAALDH1A1TAS1R3TAS1R1
SCHEMBL23379074 0.87 EPHX1 (0.43) EPHX1GAAALDH1A1TAS1R3TAS1R1
SCHEMBL15014513 0.87 EPHX1 (0.43) EPHX1GAAALDH1A1TAS1R3TAS1R1
SCHEMBL12425824 0.87 EPHX1 (0.43) EPHX1GAAALDH1A1TAS1R3TAS1R1
SCHEMBL14864808 0.87 EPHX1 (0.43) EPHX1GAAALDH1A1TAS1R3TAS1R1
SCHEMBL23735487 0.84 EPHX2 (0.56) EPHX1ALDH1A1KDM4ERAB9ANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS MEINGASSNER JOSEF GOTTFRIED 2009-09-10 US disclosed
US-7482462-B2 Acylsulfonamides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2009-01-27 US disclosed
US-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin NOVARTIS AG (CH) 2008-11-27 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-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin STS, ARSA, CYP17A1 EPHX1 922/4885GAA 204/4885ALDH1A1 676/4885
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS STS, SERPINB1, MPO EPHX1 379/4885GAA 217/4885ALDH1A1 560/4885

“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.