SCHEMBL21020022

SCHEMBL21020022

Cc1ccc(N(C)c2cccc3c2sc2c(C(F)(F)F)cccc23)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
ACP1 P24666 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AXL P30530 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL21021504 0.89 HSD17B1 (0.32) HSD17B1HSD17B2MAPK1NPSR1RXFP1
SCHEMBL20172915 0.87 HSD17B1 (0.33) HSD17B1HSD17B2ACP1HDAC3HDAC4
SCHEMBL20650247 0.86 NR1H2 (0.33) NR1H2NR1H3HDAC3HDAC4HDAC1
SCHEMBL21021500 0.84 CYP1A2 (0.38) HSD17B1HSD17B2MAPK1NPSR1RXFP1
SCHEMBL21020478 0.83 ENPP1 (0.33) HSD17B1HSD17B2ACP1HDAC3HDAC4
SCHEMBL23967806 0.83 CYP1A2 (0.32) NPSR1
SCHEMBL20172922 0.83 ACP1 (0.35) ACP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL20172880 0.79 ACP1 (0.33) HSD17B1HSD17B2ACP1HDAC6ALDH1A1
SCHEMBL20172916 0.79 ACP1 (0.33) NR1H2NR1H3ACP1HDAC3HDAC4
SCHEMBL20172918 0.79 HDAC3 (0.33) ACP1HDAC3HDAC4HDAC1HDAC7

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 NR1H2 1574/4885NR1H3 1237/4885HSD17B1 2644/4885

“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.