SCHEMBL19239136

SCHEMBL19239136

C[S+]([O-])c1ccccc1-c1ccc(-c2cccc(Cl)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.46
ESR2 Q92731 1/20 0.41
ALOX5 P09917 1/20 0.41
MAOB P27338 2/20 0.41
PGR P06401 5/20 0.40
PDK2 Q15119 1/20 0.40
TDP2 O95551 2/20 0.38
SLC6A9 P48067 1/20 0.38
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL24588640 0.82 HTR1A (0.36) HTR1AHTR7
SCHEMBL21225981 0.82 HTR1A (0.39) PDK2HTR1AHTR7
SCHEMBL19429151 0.79 PTGS2 (0.41) HTR1AHTR7KMT2A
SCHEMBL22600972 0.76 TDO2 (0.41) TAAR1ALOX5MAOBPDK2HTR1A
SCHEMBL21879767 0.75 HTR1A (0.33) HTR1AHTR7
SCHEMBL31223184 0.75 HTR1A (0.33) HTR1AHTR7
SCHEMBL31223183 0.75 HTR1A (0.33) HTR1AHTR7
SCHEMBL31223188 0.75 HTR1A (0.33) HTR1AHTR7
SCHEMBL31223187 0.75 HTR1A (0.33) HTR1AHTR7
SCHEMBL24589172 0.74 PTGS2 (0.37) ESR2PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10651391-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2020-05-12 US disclosed
US-20190245148-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2019-08-08 US disclosed
US-10319915-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2019-06-11 US disclosed
US-20180151806-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-05-31 US disclosed
US-20180151806-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-05-31 US disclosed
US-20170237013-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-08-17 US disclosed
US-20170237013-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-08-17 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 (5 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-10319915-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof EML4, EBPL, NFE2L2 TAAR1 4409/4885ESR2 20/4885ALOX5 1123/4885
US-20170237013-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF EML4, EBPL, NFE2L2 TAAR1 4409/4885ESR2 20/4885ALOX5 1123/4885
US-20190245148-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF EML4, EBPL, NFE2L2 TAAR1 4409/4885ESR2 20/4885ALOX5 1123/4885
US-20180151806-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF EBPL, EML4, NFE2L2 TAAR1 4336/4885ESR2 26/4885ALOX5 791/4885
US-10651391-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof EML4, EBPL, NFE2L2 TAAR1 4409/4885ESR2 20/4885ALOX5 1123/4885

“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.