SCHEMBL727802

SCHEMBL727802

CNc1cccc(C(C)C)cc1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.56
HDAC8 Q9BY41 3/20 0.56
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
HDAC2 Q92769 2/20 0.56
TP53 P04637 2/20 0.56
ALOX12 P18054 2/20 0.56
TYR P14679 2/20 0.56
CA2 P00918 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MDM4 O15151 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CA1 P00915 1/20 0.56
CYP3A4 P08684 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
CA5A P35218 1/20 0.56
HTT P42858 1/20 0.56
MDM2 Q00987 1/20 0.56

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
SCHEMBL729860 0.85 HDAC4 (0.52) HDAC4HDAC8MAPTSMN1; SMN2TDP1
SCHEMBL23250744 0.74 HDAC4 (0.62) HDAC4HDAC8MAPTSMN1; SMN2TDP1
SCHEMBL17356350 0.74 HDAC4 (0.62) HDAC4HDAC8MAPTSMN1; SMN2TDP1
Hinokitiol SCHEMBL1472387 0.72 HDAC4 (1.00) HDAC4HDAC8MAPTSMN1; SMN2TDP1
SCHEMBL23258683 0.72 HDAC4 (0.60) HDAC4HDAC8MAPTSMN1; SMN2TDP1
SCHEMBL23258682 0.72 HDAC4 (0.55) HDAC4HDAC8MAPTSMN1; SMN2TDP1
SCHEMBL1426164 0.71 GRIN2D (0.49) HDAC4HDAC8MAPTSMN1; SMN2TDP1
SCHEMBL374780 0.71 HDAC4 (0.56) HDAC4HDAC8MAPTSMN1; SMN2TDP1
SCHEMBL13905659 0.69 HDAC4 (0.57) HDAC4HDAC8MAPTSMN1; SMN2TDP1
Benzene SCHEMBL7084450 0.69 HDAC4 (0.54) HDAC4HDAC8MAPTSMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101553549-B Photobase generator and photocurable resin composition ASAHI KASEI E MATERIALS CORP (JP) 2013-02-20 CN disclosed
US-8137892-B2 Photobase generator and photocurable resin composition ASAHI KASEI CHEMICALS CORPORATION (JP) 2012-03-20 US disclosed
US-20100151386-A1 PHOTOBASE GENERATOR AND PHOTOCURABLE RESIN COMPOSITION ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-06-17 US disclosed
CN-101553549-A Photobase generator and photocurable resin composition ASAHI CHEMICAL CORP (JP) 2009-10-07 CN disclosed
EP-2093269-A1 PHOTOBASE GENERATOR AND PHOTOCURABLE RESIN COMPOSITION Asahi Kasei Chemicals Corporation (JP) 2009-08-26 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-20100151386-A1 PHOTOBASE GENERATOR AND PHOTOCURABLE RESIN COMPOSITION PSMC6, PCNA, POLR2B HDAC4 3257/4885HDAC8 1553/4885MAPT 753/4885

“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.