SCHEMBL20172812

SCHEMBL20172812

Cc1ccccc1N(C)c1cccc2c1oc1c(C#N)cccc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.35
SLC6A4 P31645 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CEPT1 Q9Y6K0 1/20 0.32
PSMB5 P28074 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
SCHEMBL20172821 0.90 ALDH1A1 (0.43) TSHRALDH1A1KDM4EGAAMAPT
SCHEMBL20172801 0.89 TSHR (0.42) TSHRALDH1A1KDM4EGAAMAPT
SCHEMBL21021042 0.87 KDM4E (0.40) TSHRALDH1A1KDM4EGAAMAPT
SCHEMBL23967661 0.85 TSHR (0.41) TSHRALDH1A1KDM4EGAAMAPT
SCHEMBL20172819 0.85 ALDH1A1 (0.39) TSHRALDH1A1KDM4EGAAMAPT
SCHEMBL21020286 0.84 ALDH1A1 (0.41) TSHRALDH1A1KDM4EGAAMAPT
SCHEMBL20172822 0.84 ALDH1A1 (0.38) TSHRALDH1A1KDM4EGAAMAPT
SCHEMBL20172797 0.84 MCL1 (0.39) ALDH1A1
SCHEMBL20172814 0.83 ALDH1A1 (0.38) TSHRALDH1A1KDM4EGAAMAPT
SCHEMBL20172818 0.83 ALDH1A1 (0.38) ALDH1A1KDM4EGAAMAPTHTT

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 TSHR 3775/4885ALDH1A1 87/4885KDM4E 1258/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 TSHR 4256/4885ALDH1A1 1103/4885KDM4E 517/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 TSHR 3775/4885ALDH1A1 87/4885KDM4E 1258/4885

“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.