SCHEMBL20172915

SCHEMBL20172915

Cc1ccccc1N(C)c1cccc2c1sc1c(C(F)(F)F)cccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
ACP1 P24666 1/20 0.33
KIF11 P52732 1/20 0.32
HSD11B1 P28845 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
AR P10275 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 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

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
SCHEMBL20172922 0.90 ACP1 (0.35) ACP1KIF11SMN1; SMN2CYP1A2CYP2D6
SCHEMBL20172880 0.89 ACP1 (0.33) HSD17B1HSD17B2ACP1KIF11HSD11B1
SCHEMBL20172909 0.87 GABRA1 (0.37) HSD17B1HSD17B2KIF11ALDH1A1MAPK1
SCHEMBL21020022 0.87 NR1H2 (0.34) HSD17B1HSD17B2ACP1SMN1; SMN2ALDH1A1
SCHEMBL20172918 0.86 HDAC3 (0.33) ACP1KIF11CYP1A2CYP2D6CYP2C9
SCHEMBL20172916 0.86 ACP1 (0.33) ACP1KIF11HSD11B1SMN1; SMN2CYP1A2
SCHEMBL20650207 0.85 KIF11 (0.31) HSD17B1HSD17B2ACP1KIF11HSD11B1
SCHEMBL21020479 0.84 ACP1 (0.36) ACP1KIF11CYP1A2CYP2D6CYP2C9
SCHEMBL20172875 0.84 CYP1A2 (0.35) HSD17B1HSD17B2CYP1A2CYP2D6CLK4
SCHEMBL20172912 0.83 ACP1 (0.33) ACP1KIF11CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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 (3 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 HSD17B1 2267/4885HSD17B2 1858/4885ACP1 4508/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 HSD17B1 2644/4885HSD17B2 1421/4885ACP1 4663/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 HSD17B1 2267/4885HSD17B2 1858/4885ACP1 4508/4885

“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.