SCHEMBL19863916

SCHEMBL19863916

O=C1c2ccccc2C(Br)C(Br)c2ccc(F)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
MAPK1 P28482 1/20 0.51
PTPN1 P18031 1/20 0.44
EDNRB P24530 8/20 0.43
EDNRA P25101 8/20 0.43
MAOB P27338 2/20 0.38
PPIA P62937 2/20 0.37
MEN1 O00255 1/20 0.37
CDC25B P30305 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
PARK7 Q99497 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
SCHEMBL8087901 0.83 MEN1 (0.52) CYP1A2MAPK1EDNRBEDNRAMEN1
SCHEMBL8087837 0.83 MEN1 (0.52) CYP1A2MAPK1EDNRBEDNRAMEN1
SCHEMBL19164428 0.81 CYP1A2 (0.77) CYP1A2MAPK1EDNRBEDNRAMAOB
SCHEMBL27818578 0.74 PPIA (0.43) CYP1A2MAPK1PTPN1PPIAMAPT
SCHEMBL7959774 0.74 MAPK1 (0.44) CYP1A2MAPK1EDNRBEDNRAMEN1
SCHEMBL19164165 0.74 MAPK1 (0.62) CYP1A2MAPK1EDNRBEDNRAMAOB
SCHEMBL3894758 0.73 MEN1 (0.57) MAPK1PTPN1MAOBMEN1CDC25B
SCHEMBL9765532 0.72 S100A4 (0.50) CYP1A2MAPK1PTPN1EDNRBEDNRA
SCHEMBL181722 0.71 PTPRC (0.55) CYP1A2MAPK1PTPN1MAOBMEN1
SCHEMBL563010 0.71 MEN1 (0.55) CYP1A2MAPK1PTPN1MAOBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10476006-B2 Compound and organic electronic device using the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2019-11-12 US disclosed
EP-3281936-B1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME SHANGHAI NICHEM FINE CHEMICAL CO LTD (CN) 2019-10-09 EP disclosed
US-20180047908-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-02-15 US disclosed
US-20180047908-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-02-15 US disclosed
EP-3281936-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME Nichem Fine Technology Co., Ltd. (TW) 2018-02-14 EP 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 (2 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-10476006-B2 Compound and organic electronic device using the same ESR1, AOC2, PIEZO1 CYP1A2 26/4885MAPK1 1080/4885PTPN1 2973/4885
US-20180047908-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME ESR1, AOC2, PIEZO1 CYP1A2 26/4885MAPK1 1080/4885PTPN1 2973/4885

“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.