SCHEMBL19863871

SCHEMBL19863871

C1=Cc2ccc(-c3ccc4c(c3)nc(-c3ccccc3)n4-c3ccccc3)cc2C2(c3ccccc31)c1ccccc1-c1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.41
SIRT1 Q96EB6 2/20 0.41
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
HCAR1 Q9BXC0 1/20 0.36
PTGER4 P35408 1/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 4/20 0.34
GRIA1 P42261 1/20 0.34
CACNG8 Q8WXS5 1/20 0.34
CACNG2 Q9Y698 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL19863811 0.96 SIRT2 (0.41) SIRT2SIRT1ESR1ESR2HCAR1
SCHEMBL19869442 0.94 SIRT2 (0.38) SIRT2SIRT1ESR1ESR2HCAR1
SCHEMBL19863833 0.94 SIRT2 (0.41) SIRT2SIRT1ESR1ESR2HCAR1
SCHEMBL19869438 0.92 SIRT2 (0.37) SIRT2SIRT1ESR1ESR2HCAR1
SCHEMBL19869499 0.92 SIRT2 (0.38) SIRT2SIRT1ESR1ESR2HCAR1
SCHEMBL19863880 0.92 ESR1 (0.44) SIRT2SIRT1ESR1ESR2HCAR1
SCHEMBL19869428 0.89 SIRT2 (0.36) SIRT2SIRT1ESR1ESR2HCAR1
SCHEMBL19164070 0.88 ESR1 (0.43) SIRT2SIRT1ESR1ESR2HCAR1
SCHEMBL19862215 0.88 SIRT2 (0.34) SIRT2SIRT1ESR1ESR2PTGER4
SCHEMBL19869463 0.88 SIRT2 (0.36) SIRT2SIRT1ESR1ESR2PTGER4

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 SIRT2 2055/4885SIRT1 3275/4885ESR1 1/4885
US-20180047908-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME ESR1, AOC2, PIEZO1 SIRT2 2055/4885SIRT1 3275/4885ESR1 1/4885

“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.