SCHEMBL3312435

SCHEMBL3312435

C=CCC(Oc1ccccc1)C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
PPARG P37231 15/20 0.43
PPARA Q07869 14/20 0.43
TSHR P16473 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL585488 0.86 PPARG (0.53) CYP2C19PPARGPPARA
SCHEMBL7329105 0.84 TSHR (0.44) CYP2C19MTNR1AMTNR1BPPARGPPARA
SCHEMBL3312014 0.84 CYP2C19 (0.42) CYP2C19MTNR1AMTNR1BPPARGPPARA
SCHEMBL3085599 0.83 CYP2C19 (0.45) CYP2C19PPARGPPARA
SCHEMBL11667295 0.83 CYP2C19 (0.45) CYP2C19PPARGPPARA
SCHEMBL1326852 0.82 CYP2C19 (0.44) CYP2C19PPARGPPARA
SCHEMBL13322046 0.79 ALDH1A1 (0.54) MTNR1AMTNR1BPPARGPPARATSHR
SCHEMBL5411556 0.77 MTNR1A (0.47) MTNR1AMTNR1BPPARGPPARATSHR
SCHEMBL12825612 0.75 MTNR1A (0.45) CYP2C19MTNR1AMTNR1BPPARGPPARA
SCHEMBL11115583 0.73 CYP2C19 (0.45) CYP2C19MTNR1AMTNR1BPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066443-B1 NOVEL METATHESIS CATALYSTS UMICORE AG & CO KG (DE) 2017-04-05 EP disclosed
US-8536344-B2 Metathesis catalysts UMICORE AG & CO. KG (DE) 2013-09-17 US disclosed
US-20130211096-A1 Novel Metathesis Catalysts ARLT DIETER (DE) 2013-08-15 US disclosed
US-8288558-B2 Metathesis catalysts UMICORE AG & CO. KG (DE) 2012-10-16 US disclosed
US-20100113795-A1 NOVEL METATHESIS CATALYSTS UMICORE AG & CO. KG (DE) 2010-05-06 US disclosed
EP-2066443-A1 NOVEL METATHESIS CATALYSTS Umicore AG & Co. KG (DE) 2009-06-10 EP disclosed
WO-2008034552-A1 NOVEL METATHESIS CATALYSTS UMICORE AG & CO. KG (DE) 2008-03-27 WO 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-20100113795-A1 NOVEL METATHESIS CATALYSTS CYP1B1, CYP51A1, CYP1A1 CYP2C19 75/4885MTNR1A 1779/4885MTNR1B 2024/4885

“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.