SCHEMBL6082005

SCHEMBL6082005

CCOC(=O)C1CC1c1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
PKM P14618 1/20 0.46
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL23020812 0.86 TSHR (0.48) TSHRCYP1A2CYP2C19MAPTHTT
SCHEMBL19354988 0.85 TSHR (0.47) TSHRCYP1A2CYP2C19MAPTPKM
SCHEMBL30637024 0.85 CYP1A2 (0.47) TSHRCYP1A2CYP2C19MAPTPKM
SCHEMBL4134493 0.85 CYP1A2 (0.47) TSHRCYP1A2CYP2C19MAPTPKM
SCHEMBL25317886 0.85 CYP1A2 (0.47) TSHRCYP1A2CYP2C19MAPTPKM
SCHEMBL15805113 0.85 TSHR (0.47) TSHRCYP1A2CYP2C19MAPTPKM
SCHEMBL19354984 0.85 TSHR (0.47) TSHRCYP1A2CYP2C19MAPTPKM
SCHEMBL4135293 0.85 TSHR (0.47) TSHRCYP1A2CYP2C19MAPTPKM
SCHEMBL15797889 0.85 TSHR (0.47) TSHRCYP1A2CYP2C19MAPTPKM
SCHEMBL4775290 0.84 CA1 (0.52) TSHRCYP1A2CYP2C19CA1CA2

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-2016086015-A1 MYOGLOBIN-BASED CATALYSTS FOR CARBENE TRANSFER REACTIONS UNIVERSITY OF ROCHESTER (US) 2016-06-02 WO disclosed
US-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2006-02-09 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-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes PPOX, HCCS, ICOSLG TSHR 3799/4885CYP1A2 724/4885CYP2C19 616/4885

“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.