SCHEMBL3312014

SCHEMBL3312014

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
PPARG P37231 11/20 0.42
PPARA Q07869 11/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 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
SCHEMBL3312435 0.84 CYP2C19 (0.45) CYP2C19PPARGPPARATSHRALDH1A1
SCHEMBL585488 0.83 PPARG (0.53) CYP2C19PPARGPPARA
SCHEMBL13059499 0.82 ALDH1A1 (0.52) PPARGPPARATSHRALDH1A1NPSR1
SCHEMBL7329105 0.81 TSHR (0.44) CYP2C19PPARGPPARATSHRALDH1A1
SCHEMBL11667295 0.81 CYP2C19 (0.45) CYP2C19PPARGPPARA
SCHEMBL3085599 0.81 CYP2C19 (0.45) CYP2C19PPARGPPARA
SCHEMBL1326852 0.79 CYP2C19 (0.44) CYP2C19PPARGPPARA
SCHEMBL11513552 0.74 MTNR1A (0.46) CYP2C19PPARGPPARATSHRALDH1A1
SCHEMBL10204793 0.73 GAA (0.53) CYP2C19TSHRALDH1A1MTNR1AMTNR1B
SCHEMBL8669698 0.73 ATM (0.41) CYP2C19PPARGPPARA

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 75/4885PPARG 4711/4885PPARA 4743/4885

“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.