SCHEMBL19863812

SCHEMBL19863812

C1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1ccc(-c3nc4ccccc4n3-c3ccccc3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
GRIA1 P42261 1/20 0.40
CACNG8 Q8WXS5 1/20 0.40
CACNG2 Q9Y698 1/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.39
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38
GSK3B P49841 1/20 0.38
ROCK1 Q13464 1/20 0.38
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL19863867 0.93 RECQL (0.44) RECQLESR1ESR2GRIA1CACNG8
SCHEMBL19164414 0.92 RECQL (0.48) RECQLESR1ESR2GRIA1CACNG8
SCHEMBL19869443 0.92 RECQL (0.39) RECQLESR1ESR2GRIA1CACNG8
SCHEMBL19863880 0.91 ESR1 (0.44) RECQLESR1ESR2GRIA1CACNG8
SCHEMBL19869418 0.90 RECQL (0.38) RECQLESR1ESR2GRIA1CACNG8
SCHEMBL19869503 0.89 RECQL (0.38) RECQLESR1ESR2GRIA1CACNG8
SCHEMBL19863811 0.89 SIRT2 (0.41) RECQLESR1ESR2GRIA1CACNG8
SCHEMBL13562930 0.89 ESR1 (0.48) RECQLESR1ESR2GRIA1CACNG8
SCHEMBL14506129 0.89 RECQL (0.45) RECQLESR1ESR2GRIA1CACNG8
SCHEMBL24648300 0.89 ESR1 (0.50) RECQLESR1ESR2GRIA1CACNG8

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 RECQL 1754/4885ESR1 1/4885ESR2 9/4885
US-20180047908-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME ESR1, AOC2, PIEZO1 RECQL 1754/4885ESR1 1/4885ESR2 9/4885

“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.