SCHEMBL5433945

SCHEMBL5433945

CC(C)OC(=O)C1=CC(=O)CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA7 P43166 4/20 0.38
CA9 Q16790 4/20 0.38
CA14 Q9ULX7 4/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL2600393 0.81 CHRM3 (0.42) TSHRMAPTSLC6A3CA12CA9
SCHEMBL17049264 0.74 HDAC4 (0.50) TSHRSLC6A2SLC6A3ALOX15HSD17B10
SCHEMBL2081539 0.72 MT-CO2 (0.40) MAPTALDH1A1
SCHEMBL3940279 0.72 MAPT (0.48) TSHRMAPTSLC6A2SLC6A3ALOX15
SCHEMBL14456193 0.71 HSD17B10 (0.36) MAPTSLC6A2SLC6A3ALOX15HSD17B10
SCHEMBL5972221 0.71 CA12 (0.44) TSHRSLC6A2SLC6A3ALOX15HSD17B10
SCHEMBL2082622 0.70 OAT (0.41) TSHRMAPTALDH1A1
SCHEMBL10038319 0.69 HSD17B10 (0.43) MAPTALOX15HSD17B10CA12CA1
SCHEMBL2600399 0.69 CHRM3 (0.44) TSHRCA12CA2CA9
Trimethylammonium SCHEMBL28000537 0.68 MT-CO2 (0.37) MAPTALDH1A1

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-20070197788-A1 METHOD FOR THE PREPARATION OF ENANTIOMER FORMS OF CIS-CONFIGURED 3-HYDROXYCYCLOHEXANE CARBOXYLIC ACID DERIVATIVES USING HYDROLASES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 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-20070197788-A1 METHOD FOR THE PREPARATION OF ENANTIOMER FORMS OF CIS-CONFIGURED 3-HYDROXYCYCLOHEXANE CARBOXYLIC ACID DERIVATIVES USING HYDROLASES CES1, COASY, CYP51A1 TSHR 3448/4885MAPT 4820/4885SLC6A2 2827/4885

“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.