SCHEMBL669129

SCHEMBL669129

CCCCCC(CC(=O)O)c1cc2ccccc2o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.45
HDAC3 O15379 1/20 0.45
MMP12 P39900 2/20 0.44
MMP13 P45452 1/20 0.44
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
ADCY6 O43306 2/20 0.42
ADCY3 O60266 2/20 0.42
ADCY9 O60503 2/20 0.42
ADCY5 O95622 2/20 0.42
ADCY8 P40145 2/20 0.42
GCGR P47871 2/20 0.42
ADCY7 P51828 2/20 0.42
ADCY2 Q08462 2/20 0.42
ADCY1 Q08828 2/20 0.42
ADCY4 Q8NFM4 2/20 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
SCHEMBL1687727 0.80 CYP2D6 (0.48) MAOBMAOAHDAC3LMNACYP2D6
SCHEMBL7663044 0.76 GABBR2 (0.56) HDAC3MMP12MMP2MMP9CYSLTR2
SCHEMBL6070813 0.75 FLT3 (0.51) MAOBMMP12MMP13LMNATAS1R3
SCHEMBL27688433 0.75 GABBR2 (0.54) MMP12MMP2MMP9CYSLTR2CYSLTR1
SCHEMBL3242852 0.75 GABBR2 (0.54) MMP12MMP2MMP9CYSLTR2CYSLTR1
SCHEMBL4403980 0.75 GABBR2 (0.54) MMP12MMP2MMP9CYSLTR2CYSLTR1
SCHEMBL14576645 0.74 MAOB (0.53) MAOBMAOAHDAC3LMNAKDM4E
SCHEMBL9185451 0.74 CYP2C9 (0.50) MMP12MMP2MMP9CYSLTR2CYSLTR1
SCHEMBL669582 0.74 RAB9A (0.45) LMNA
SCHEMBL11479308 0.74 ADCY6 (0.58) MAOBMMP12MMP13ADCY6ADCY3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB MAOB 4512/4885MAOA 4177/4885HDAC3 2060/4885

“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.