SCHEMBL20172850

SCHEMBL20172850

CN(c1ccccc1C(F)(F)F)c1cccc2c1oc1c(C3CCCCC3)cccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.36
GAA P10253 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
HTR1A P08908 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HTR7 P34969 1/20 0.33
RBP4 P02753 8/20 0.32
PROKR1 Q8TCW9 1/20 0.32
CEL P19835 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
NSD2 O96028 1/20 0.31
MPI P34949 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NOTUM Q6P988 1/20 0.31
PTGS2 P35354 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
SCHEMBL20172839 0.91 HTR2C (0.36) HTR2CGAATDP1HTR1ASLC6A2
SCHEMBL20172849 0.90 CEL (0.32) HTR1AHTR7CEL
SCHEMBL20172854 0.87 CEL (0.36) TDP1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL20650471 0.86 HTR2C (0.36) HTR2CGAATDP1HTR1ASLC6A2
SCHEMBL20172845 0.85 CEL (0.33) GAATDP1HTR1ASLC6A4HTR7
SCHEMBL20172848 0.84 S1PR1 (0.36) HTR1ASLC6A2SLC6A4SLC6A3PROKR1
SCHEMBL20172851 0.83 LMNA (0.35) HTR2CTDP1HTR1AHTR7CEL
SCHEMBL21020442 0.83 TRPV1 (0.32) HTR2CHTR1ASLC6A2SLC6A4HTR7
SCHEMBL20172832 0.83 CEL (0.32) HTR1AHTR7CEL
SCHEMBL20800844 0.82 HTR1A (0.36) TDP1HTR1AHTR7CELKDM4E

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 HTR2C 2681/4885GAA 1305/4885TDP1 3519/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 HTR2C 2958/4885GAA 2197/4885TDP1 3076/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 HTR2C 2681/4885GAA 1305/4885TDP1 3519/4885

“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.