SCHEMBL3312441

SCHEMBL3312441

C=CCc1ccccc1OCC(C)=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
GAA P10253 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
KDM4E B2RXH2 4/20 0.52
LMNA P02545 4/20 0.51
MAPT P10636 1/20 0.51
ALOX12 P18054 1/20 0.51
NCOA1 Q15788 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
ADRB2 P07550 3/20 0.50
ADRB1 P08588 3/20 0.50
HTR1A P08908 2/20 0.50
ADRA2C P18825 2/20 0.50
ADRB3 P13945 1/20 0.50
SLC6A2 P23975 1/20 0.50
BDKRB2 P30411 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.50
HTR2B P41595 1/20 0.50

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
SCHEMBL11667153 0.85 KDM4E (0.54) ALDH1A1GAAKDM4ELMNAMAPT
SCHEMBL869669 0.85 PTGDR2 (0.64) ALDH1A1GAAL3MBTL1KDM4ELMNA
SCHEMBL22701022 0.85 ALDH1A1 (0.54) ALDH1A1GAAKDM4ELMNAMAPT
SCHEMBL7329095 0.84 KDM4E (0.56) ALDH1A1GAAKDM4ELMNAMAPT
SCHEMBL5098541 0.82 ALDH1A1 (0.56) ALDH1A1GAAL3MBTL1KDM4ELMNA
SCHEMBL18062275 0.81 L3MBTL1 (0.59) ALDH1A1GAAL3MBTL1LMNAMAPT
SCHEMBL19001359 0.81 L3MBTL1 (0.62) GAAL3MBTL1KDM4EMAPTSMN1; SMN2
Phosphoric Acid SCHEMBL29253402 0.81 ALDH1A1 (0.49) ALDH1A1GAAL3MBTL1KDM4ELMNA
SCHEMBL11552066 0.81 ALDH1A1 (0.52) ALDH1A1GAAKDM4ELMNAADRB2
SCHEMBL4209605 0.80 GAA (0.54) ALDH1A1GAAKDM4ELMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ALDH1A1 233/4885GAA 1995/4885L3MBTL1 4326/4885

“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.