SCHEMBL17439398

SCHEMBL17439398

COc1ccc2c(c1)-c1ccccc1C2(O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 9/20 0.64
GAA P10253 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
PARP1 P09874 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
PTPN1 P18031 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC6A3 Q01959 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 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
SCHEMBL7324013 0.91 PDK2 (0.60) PDK2GAAKMT2AMEN1PARP1
SCHEMBL17471968 0.90 PDK2 (0.59) PDK2GAAKMT2AMEN1PARP1
SCHEMBL7315127 0.85 PDK2 (0.51) PDK2GAAKMT2AMEN1CA1
SCHEMBL7315657 0.84 PDK2 (0.51) PDK2GAAKMT2AMEN1SLC6A3
SCHEMBL17439399 0.84 PDK2 (0.59) PDK2GAAKMT2AMEN1PARP1
SCHEMBL17439393 0.81 PDK2 (0.56) PDK2GAAKMT2AMEN1PARP1
SCHEMBL17456241 0.81 PDK2 (0.52) PDK2GAAKMT2AMEN1PARP1
SCHEMBL3962635 0.80 PDK2 (0.49) PDK2GAAKMT2AMEN1PARP1
SCHEMBL30829197 0.80 PDK2 (0.66) PDK2GAAKMT2AMEN1PARP1
SCHEMBL27392579 0.80 PDK2 (0.66) PDK2GAAKMT2AMEN1PARP1

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-9880469-B2 Resins for underlayers ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2018-01-30 US disclosed
US-20160016872-A1 RESINS FOR UNDERLAYERS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2016-01-21 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-20160016872-A1 RESINS FOR UNDERLAYERS AS3MT, TET2, MMAB PDK2 3031/4885GAA 1958/4885KMT2A 250/4885

“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.