SCHEMBL12415472

SCHEMBL12415472

C=CC1CC(C=C)C(C(=O)n2cccc2)C1C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A2 P23975 2/20 0.34
TSHR P16473 1/20 0.32

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
SCHEMBL18432732 0.82 PPM1B (0.37) SLC6A3SLC6A4SLC6A2
SCHEMBL12415460 0.82 PPM1B (0.37) SLC6A3SLC6A4SLC6A2
SCHEMBL18461227 0.73 CYP2C19 (0.33) SLC6A3SLC6A4SLC6A2
SCHEMBL19115141 0.73 CYP2C19 (0.33) SLC6A3SLC6A4SLC6A2
SCHEMBL18120296 0.73 CYP2C19 (0.33) SLC6A3SLC6A4SLC6A2
SCHEMBL12762662 0.73 CYP2C19 (0.35) SLC6A3SLC6A4SLC6A2
SCHEMBL18117662 0.73 CYP2C19 (0.35) SLC6A3SLC6A4SLC6A2
SCHEMBL12415463 0.72 CYP19A1 (0.36) SLC6A3SLC6A4SLC6A2TSHR
SCHEMBL18118605 0.70 ALDH1A1 (0.46) SLC6A3SLC6A4SLC6A2
SCHEMBL26347053 0.65 PPM1B (0.43) TSHR

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
US-20140080984-A1 HIGHLY ACTIVE METATHESIS CATALYSTS SELECTIVE FOR ROMP AND RCM REACTIONS ZANNA SCITECH CO., LTD. (CN) 2014-03-20 US disclosed
US-20110172381-A1 HIGHLY ACTIVE METATHESIS CATALYSTS SELECTIVE FOR ROMP AND RCM REACTIONS ZANNA SCITECH CO., LTD. (CN) 2011-07-14 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-20110172381-A1 HIGHLY ACTIVE METATHESIS CATALYSTS SELECTIVE FOR ROMP AND RCM REACTIONS RCSD1, RRP12, TIAM1 SLC6A3 4685/4885SLC6A4 4359/4885SLC6A2 4709/4885

“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.