SCHEMBL20172880

SCHEMBL20172880

Cc1cccc2c1sc1c(N(C)c3ccccc3C(F)(F)F)cccc12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.33
KIF11 P52732 1/20 0.32
HSD11B1 P28845 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
HSD17B1 P14061 2/20 0.31
HSD17B2 P37059 2/20 0.31
AR P10275 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 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
SCHEMBL20172922 0.90 ACP1 (0.35) ACP1KIF11CYP1A2CYP2D6CYP2C9
SCHEMBL20172915 0.89 HSD17B1 (0.33) ACP1KIF11HSD11B1CYP1A2CYP2D6
SCHEMBL20172878 0.87 GABRA1 (0.37) KIF11HSD17B1HSD17B2ALDH1A1
SCHEMBL20172890 0.86 ACP1 (0.33) ACP1KIF11HSD11B1CYP1A2CYP2D6
SCHEMBL20172912 0.86 ACP1 (0.33) ACP1KIF11CYP1A2CYP2D6CYP2C9
SCHEMBL20650365 0.85 KIF11 (0.31) ACP1KIF11HSD11B1ARALDH1A1
SCHEMBL20172874 0.84 GPR3 (0.36) ACP1KIF11CYP1A2CYP2D6CYP2C9
SCHEMBL20172875 0.84 CYP1A2 (0.35) CYP1A2CYP2D6CLK4HSD17B1HSD17B2
SCHEMBL20172918 0.83 HDAC3 (0.33) ACP1KIF11CYP1A2CYP2D6CYP2C9
SCHEMBL21021048 0.83 P2RX7 (0.35) ACP1KIF11CYP2C9ARHDAC6

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 ACP1 4508/4885KIF11 3028/4885HSD11B1 1717/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 ACP1 4663/4885KIF11 1480/4885HSD11B1 2432/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 ACP1 4508/4885KIF11 3028/4885HSD11B1 1717/4885

“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.