SCHEMBL20172891

SCHEMBL20172891

CN(c1ccccc1OC(F)(F)F)c1cccc2c1sc1c(F)cccc12

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.31
RORC P51449 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HTR6 P50406 1/20 0.31
KDM4E B2RXH2 1/20 0.30
RHEB Q15382 1/20 0.30
ACP1 P24666 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
SCHEMBL20172882 0.87 SCN9A (0.32) SLC6A2SLC6A4SLC6A3HTR6KDM4E
SCHEMBL20172919 0.86 HSD11B1 (0.36) SLC6A2SLC6A4SLC6A3HTR6KDM4E
SCHEMBL20172867 0.86 GPR3 (0.33) SLC6A2SLC6A4SLC6A3HTR6KDM4E
SCHEMBL20172910 0.85 HTR6 (0.32) HTR6KDM4E
SCHEMBL20172943 0.84 EPHX2 (0.32) ACP1
SCHEMBL21021053 0.84 KCNK3 (0.39) ACP1
SCHEMBL21021482 0.84 SLC6A3 (0.36) SLC6A2SLC6A4SLC6A3HTR6KDM4E
SCHEMBL20172901 0.83 KDM4E (0.35) KDM4E
SCHEMBL20172889 0.82 ALDH1A1 (0.34) KDM4E
SCHEMBL21020332 0.81 ACP1 (0.36) SLC6A2SLC6A4SLC6A3ACP1

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 TRPA1 15/4885RORC 194/4885SLC6A2 3488/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 TRPA1 223/4885RORC 729/4885SLC6A2 852/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 TRPA1 15/4885RORC 194/4885SLC6A2 3488/4885

“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.