SCHEMBL19863880

SCHEMBL19863880

C1=Cc2ccc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)cc2C2(c3ccccc31)c1ccccc1-c1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
RECQL P46063 1/20 0.42
GRIA1 P42261 1/20 0.41
CACNG8 Q8WXS5 1/20 0.41
CACNG2 Q9Y698 1/20 0.41
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
PTGS2 P35354 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PRKACA P17612 1/20 0.37
RPS6KB1 P23443 1/20 0.37
GSK3B P49841 1/20 0.37
ROCK1 Q13464 1/20 0.37
ATR Q13535 1/20 0.35

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
SCHEMBL19869394 0.94 ESR1 (0.40) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL19863871 0.92 SIRT2 (0.41) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL19863812 0.91 RECQL (0.44) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL19869443 0.90 RECQL (0.39) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL19863867 0.89 RECQL (0.44) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL24648300 0.89 ESR1 (0.50) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL21402178 0.89 ESR1 (0.50) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL20845212 0.89 ESR1 (0.42) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL19869418 0.88 RECQL (0.38) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL20086978 0.88 ESR1 (0.49) ESR1ESR2RECQLGRIA1CACNG8

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

“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.