SCHEMBL3312018

SCHEMBL3312018

CC=Cc1ccccc1OCC(=O)CC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 5/20 0.48
LMNA P02545 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48
S1PR4 O95977 1/20 0.48
ITGA4 P13612 1/20 0.48
S1PR1 P21453 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TLR9 Q9NR96 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.47
USP2 O75604 1/20 0.46
ATM Q13315 1/20 0.44
NFE2L2 Q16236 2/20 0.43
GLA P06280 1/20 0.42

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
SCHEMBL2342765 0.84 PTGDR2 (0.68) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL2317111 0.84 KMT2A (0.53) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL2601637 0.84 KMT2A (0.53) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL20165421 0.80 L3MBTL1 (0.55) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL20165417 0.80 L3MBTL1 (0.55) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL10436448 0.78 MAPT (0.51) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL10436451 0.78 MAPT (0.51) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL16382639 0.78 MEN1 (0.48) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL25117781 0.76 MEN1 (0.48) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL9722015 0.76 SMN1; SMN2 (0.50) MEN1KMT2ASMN1; SMN2LMNAALDH1A1

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 9 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
CN-101516507-B Metathesis catalysts UMICORE AG & CO KG 2012-05-23 CN disclosed
US-20100113795-A1 NOVEL METATHESIS CATALYSTS UMICORE AG & CO. KG (DE) 2010-05-06 US disclosed
CN-101516507-A Novel metathesis catalysts UMICORE AG & CO KG (DE) 2009-08-26 CN 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 MEN1 13/4885KMT2A 2895/4885SMN1; SMN2 2782/4885

“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.