SCHEMBL925957

SCHEMBL925957

C=Cc1cc(OC(C)C)ccc1/C=C/C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
PTGDR Q13258 2/20 0.43
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.41
GCK P35557 1/20 0.41
NPC1 O15118 1/20 0.41
THRB P10828 1/20 0.41
ATM Q13315 1/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MIF P14174 1/20 0.39
PTGS2 P35354 1/20 0.39
PARP10 Q53GL7 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
SCHEMBL6398103 0.85 THRB (0.54) ALDH1A1KMT2ANPC1THRBATM
SCHEMBL6398113 0.85 THRB (0.54) ALDH1A1KMT2ANPC1THRBATM
SCHEMBL7198122 0.82 ALDH1A1 (0.53) ALDH1A1PTGDRKMT2AKDM4ENPC1
SCHEMBL1207346 0.74 THRB (0.66) KMT2AKDM4EGCKNPC1THRB
SCHEMBL1207345 0.74 THRB (0.66) KMT2AKDM4EGCKNPC1THRB
SCHEMBL7797914 0.74 TDO2 (0.54) ALDH1A1KDM4ESMN1; SMN2MIF
SCHEMBL1950982 0.74 TDO2 (0.54) ALDH1A1KDM4ESMN1; SMN2MIF
SCHEMBL926135 0.74 AKR1C3 (0.54) ALDH1A1KMT2AKDM4EGCKTHRB
SCHEMBL926134 0.74 AKR1C3 (0.54) ALDH1A1KMT2AKDM4EGCKTHRB
SCHEMBL11364258 0.74 MAPT (0.67) ALDH1A1KMT2ANPC1SMN1; SMN2

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
EP-1965915-B1 SUPPORTED TRANSITION METAL COMPLEX AND USE THEREOF IN CATALYSIS RAPP POLYMERE GMBH (DE) 2014-08-13 EP disclosed
US-20110009621-A1 SUPPORTED TRANSITION METAL COMPLEX AND USE THEREOF IN CATALYSIS Raap Polymere GmbH (DE) 2011-01-13 US disclosed
EP-1965915-A1 SUPPORTED TRANSITION METAL COMPLEX AND USE THEREOF IN CATALYSIS Rapp Polymere GmbH (DE) 2008-09-10 EP disclosed
WO-2007065907-A1 SUPPORTED TRANSITION METAL COMPLEX AND USE THEREOF IN CATALYSIS RAPP POLYMERE GMBH (DE) 2007-06-14 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-20110009621-A1 SUPPORTED TRANSITION METAL COMPLEX AND USE THEREOF IN CATALYSIS SCO2, SOD1, PPIF ALDH1A1 1241/4885PTGDR 3094/4885KMT2A 2886/4885

“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.