SCHEMBL21020604

SCHEMBL21020604

CN(c1ccc(C(F)(F)F)cc1)c1cccc2c1sc1c(C(F)(F)F)cccc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.34
EPHX2 P34913 2/20 0.33
KIF11 P52732 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
KDM1A O60341 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
ACP1 P24666 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL21020476 0.92 HDAC6 (0.33) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL21021508 0.92 HDAC6 (0.31) HDAC6KIF11
SCHEMBL21020601 0.89 NR1H2 (0.33) HDAC6NR1H2NR1H3ACP1HDAC3
SCHEMBL21020478 0.89 ENPP1 (0.33) HDAC6SMN1; SMN2ACP1HDAC3HDAC4
SCHEMBL21020479 0.89 ACP1 (0.36) HDAC6KIF11NR1H2NR1H3ACP1
SCHEMBL21020603 0.87 ACP1 (0.32) HDAC6ACP1
SCHEMBL21020329 0.86 KIF11 (0.32) KIF11KDM1AOPRM1OPRL1
SCHEMBL21021496 0.86 TNKS (0.34) KIF11KDM1AOPRM1OPRL1
SCHEMBL23967671 0.86 HDAC6 (0.31) HDAC6
SCHEMBL21020477 0.86 KDM4C (0.36) HDAC6

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 HDAC6 3886/4885EPHX2 150/4885KIF11 1480/4885

“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.