SCHEMBL1903204

SCHEMBL1903204

O=[N+]([O-])c1cc(Br)ccc1-c1cc2ccccc2c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 1/20 0.50
▸ TDP1 Q9NUW8 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CASP6 P55212 1/20 0.46
▸ S100A4 P26447 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ CTSB P07858 1/20 0.42
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ GABRB2 P47870 1/20 0.41

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
SCHEMBL2627634 0.90 HPRT1 (0.61) HPRT1TDP1TSHRCASP6S100A4
SCHEMBL12004266 0.88 HPRT1 (0.50) HPRT1TDP1TSHRCASP6S100A4
SCHEMBL31627 0.85 ALDH1A1 (0.53) HPRT1TDP1TSHRCASP6S100A4
SCHEMBL21107429 0.85 S100A4 (0.46) HPRT1TDP1TSHRCASP6S100A4
SCHEMBL17300253 0.84 GABRA1 (0.52) HPRT1TDP1TSHRCASP6ALDH1A1
SCHEMBL4138766 0.82 HPRT1 (0.57) HPRT1TDP1TSHRCASP6S100A4
SCHEMBL22155094 0.82 MAPT (0.50) HPRT1TDP1TSHRCASP6ALDH1A1
SCHEMBL204357 0.82 S100A4 (0.61) TSHRS100A4TRPV1ALDH1A1CYP3A4
SCHEMBL19051835 0.81 MAPT (0.64) TDP1CASP6ALDH1A1LMNACTSB
SCHEMBL11731287 0.80 GABRA1 (0.54) TDP1S100A4TRPV1ALDH1A1CYP3A4

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200243771-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2020-07-30 — — US disclosed
US-10700285-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2020-06-30 — — US disclosed
US-10396291-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2019-08-27 — — US disclosed
US-20190051836-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2019-02-14 — — US disclosed
US-9691990-B2 Compound, organic electronic element using same, and electronic device using the latter DUK SAN NEOLUX CO., LTD. (KR) 2017-06-27 — — US disclosed
US-9691990-B2 Compound, organic electronic element using same, and electronic device using the latter DUK SAN NEOLUX CO., LTD. (KR) 2017-06-27 — — US disclosed
US-9691990-B2 Compound, organic electronic element using same, and electronic device using the latter DUK SAN NEOLUX CO., LTD. (KR) 2017-06-27 — — US disclosed
US-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 — — US disclosed
US-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 — — US disclosed
US-20170062728-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-03-02 — — US disclosed
US-20140027747-A1 COMPOUND, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE USING THE LATTER DUKSAN HIGH METAL CO., LTD. (KR) 2014-01-30 — — US disclosed
US-20140027747-A1 COMPOUND, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE USING THE LATTER DUKSAN HIGH METAL CO., LTD. (KR) 2014-01-30 — — US disclosed
WO-2012134203-A2 COMPOUND, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE USING THE LATTER 덕산하이메탈(주) (KR) 2012-10-04 — — WO disclosed
WO-2012134203-A2 COMPOUND, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE USING THE LATTER 덕산하이메탈(주) (KR) 2012-10-04 — — WO disclosed
US-20120217492-A1 ORGANIC COMPOUND, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL FOR SAME DUKSAN HIGH METAL CO., LTD. (KR) 2012-08-30 — — US disclosed
US-20120217492-A1 ORGANIC COMPOUND, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL FOR SAME DUKSAN HIGH METAL CO., LTD. (KR) 2012-08-30 — — US disclosed
US-20120217492-A1 ORGANIC COMPOUND, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL FOR SAME DUKSAN HIGH METAL CO., LTD. (KR) 2012-08-30 — — US disclosed
WO-2011055932-A9 ORGANIC COMPOUND, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL FOR SAME 덕산하이메탈(주) (KR) 2011-09-01 — — WO disclosed
WO-2011055932-A9 ORGANIC COMPOUND, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL FOR SAME 덕산하이메탈(주) (KR) 2011-09-01 — — WO disclosed
WO-2011055932-A2 ORGANIC COMPOUND, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL FOR SAME 덕산하이메탈(주) (KR) 2011-05-12 — — WO 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 (7 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-20120217492-A1 ORGANIC COMPOUND, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL FOR SAME OR10J3, OR51E2, ORC3 HPRT1 1281/4885TDP1 898/4885TSHR 3493/4885
US-10396291-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof GPX1, NFE2L2, LEF1 HPRT1 1233/4885TDP1 1075/4885TSHR 4569/4885
US-20170062728-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF GPX1, OR51E2, PIEZO1 HPRT1 1145/4885TDP1 1653/4885TSHR 4384/4885
US-20200243771-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND ELECTRONIC DEVICE THEREOF GPX1, LEF1, NFE2L2 HPRT1 1338/4885TDP1 1195/4885TSHR 4533/4885
US-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 HPRT1 253/4885TDP1 2848/4885TSHR 4582/4885
US-10700285-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof GPX1, OR51E2, PIEZO1 HPRT1 1145/4885TDP1 1653/4885TSHR 4384/4885
US-20190051836-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF GPX1, NFE2L2, LEF1 HPRT1 1233/4885TDP1 1075/4885TSHR 4569/4885

“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.

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