SCHEMBL132452

SCHEMBL132452

CC(C)(C)c1cc(O)cc(-n2nc3ccc(Cl)cc3n2)c1CCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.37
RXRA P19793 7/20 0.36
RXRB P28702 7/20 0.36
RXRG P48443 7/20 0.36
RBP4 P02753 1/20 0.36
KMO O15229 2/20 0.35
GPR17 Q13304 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL137865 0.89 EGFR (0.40) KDM4EALDH1A1MAPTRXFP1TP53
SCHEMBL7689792 0.81 HDAC6 (0.37) HDAC6RXRARXRBRXRGRBP4
SCHEMBL29365566 0.81 MAOB (0.40) HDAC6RBP4KMOKDM4EALDH1A1
SCHEMBL101259 0.81 MAOB (0.40) HDAC6RBP4KMOKDM4EALDH1A1
SCHEMBL28535456 0.79 MAOB (0.41) HDAC6RBP4KDM4EALDH1A1
SCHEMBL132451 0.77 MAPT (0.32) KDM4EALDH1A1MAPTRXFP1TP53
Bumetrizole SCHEMBL8433097 0.77 NPC1 (0.45) HDAC6RBP4KMOKDM4EALDH1A1
SCHEMBL5711711 0.77 MAOB (0.39) HDAC6RXRARXRBRXRGRBP4
SCHEMBL9420192 0.77 HDAC6 (0.37) HDAC6RXRARXRBRXRGRBP4
Propionic Acid SCHEMBL2228683 0.76 NPC1 (0.36) RBP4KDM4EALDH1A1MAPTRXFP1

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
US-9034955-B2 High molecular weight nonpolar benzotriazoles BASF SE (DE) 2015-05-19 US disclosed
EP-2430089-B1 HIGH MOLECULAR WEIGHT NON-POLAR BENZOTRIAZOLES BASF SE (DE) 2013-07-31 EP disclosed
EP-2430089-A2 HIGH-MOLECULAR NON-POLAR BENZTRIAZOLES BASF SE (DE) 2012-03-21 EP disclosed
US-20120058974-A1 Composition comprising pesticide and benzotriazole UV absorbers BASF SE (DE) 2012-03-08 US disclosed
US-20120059095-A1 HIGH MOLECULAR WEIGHT NONPOLAR BENZOTRIAZOLES BASF SE (DE) 2012-03-08 US disclosed
WO-2010130752-A2 HIGH-MOLECULAR NON-POLAR BENZTRIAZOLES BASF SE (DE) 2010-11-18 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 (2 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-20120059095-A1 HIGH MOLECULAR WEIGHT NONPOLAR BENZOTRIAZOLES SULT1A1, TPST2, SULT2A1 HDAC6 879/4885RXRA 2682/4885RXRB 2419/4885
US-20120058974-A1 Composition comprising pesticide and benzotriazole UV absorbers DDT, CRY1, PAH HDAC6 1570/4885RXRA 1341/4885RXRB 1268/4885

“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.