SCHEMBL13585083

SCHEMBL13585083

CC(C)c1cccc(C(O)C=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.48
HDAC4 P56524 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MDM4 O15151 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CA5A P35218 1/20 0.48
HTT P42858 1/20 0.48
MDM2 Q00987 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA9 Q16790 1/20 0.48
HDAC2 Q92769 1/20 0.48

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
SCHEMBL1712796 0.80 ACP3 (0.47) HDAC8TP53TDP1PTGS1
Hydrogen Peroxide SCHEMBL1877668 0.78 HDAC4 (0.58) TYRHDAC4HDAC8KDM4EMDM4
Hydrogen Peroxide SCHEMBL28407249 0.78 HDAC4 (0.58) TYRHDAC4HDAC8KDM4EMDM4
Hydrogen Peroxide SCHEMBL315899 0.78 HDAC4 (0.58) TYRHDAC4HDAC8KDM4EMDM4
SCHEMBL13628507 0.78 ADRB1 (0.48) KDM4EALDH1A1CA1CA2CYP3A4
SCHEMBL374780 0.78 HDAC4 (0.56) TYRHDAC4HDAC8KDM4EMDM4
SCHEMBL13229884 0.76 HDAC4 (0.52) TYRHDAC4HDAC8KDM4EMDM4
SCHEMBL8274497 0.76 UGT2B7 (0.56) TYRHDAC4HDAC8KDM4EMDM4
SCHEMBL6055416 0.76 UGT2B7 (0.56) TYRHDAC4HDAC8KDM4EMDM4
SCHEMBL8274488 0.76 UGT2B7 (0.56) TYRHDAC4HDAC8KDM4EMDM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969629-B2 Cyclic compound, production process thereof, radiation-sensitive composition and resist pattern formation method MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-03-03 US disclosed
US-20120282546-A1 CYCLIC COMPOUND, PRODUCTION PROCESS THEREOF, RADIATION-SENSITIVE COMPOSITION AND RESIST PATTERN FORMATION METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-11-08 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-20120282546-A1 CYCLIC COMPOUND, PRODUCTION PROCESS THEREOF, RADIATION-SENSITIVE COMPOSITION AND RESIST PATTERN FORMATION METHOD CROCC, XRCC6, CHEK1 TYR 4615/4885HDAC4 2838/4885HDAC8 2823/4885

“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.