SCHEMBL21020282

SCHEMBL21020282

CC(C)c1ccc(N(C)c2cccc3c2oc2c(F)cccc23)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.33
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PARP2 Q9UGN5 1/20 0.32

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
SCHEMBL21020565 0.86 GAA (0.35) DHFR
SCHEMBL20650725 0.85 TNKS (0.32) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL21021025 0.85 DHFR (0.34) DHFRTNKSPARP1TNKS2HDAC6
SCHEMBL20800889 0.85 TNKS (0.35) DHFRTNKSPARP1TNKS2HDAC6
SCHEMBL21020278 0.84 NPC1 (0.36)
SCHEMBL21020298 0.83 KDM4C (0.36) DHFRTNKSPARP1TNKS2HDAC6
SCHEMBL21021032 0.83 DHFR (0.35) DHFRTNKSPARP1TNKS2HDAC6
SCHEMBL18627678 0.82 TNKS (0.41) DHFRTNKSPARP1TNKS2HDAC6
SCHEMBL21020570 0.82 KDM4C (0.30)
SCHEMBL20800890 0.82 DHFR (0.32) DHFRTNKSPARP1TNKS2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 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-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 DHFR 1559/4885TNKS 4534/4885PARP1 4473/4885

“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.