SCHEMBL19863837

SCHEMBL19863837

C1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1ccc(-c3ccc4c(c3)c3cccnc3n4-c3ccccc3)cc12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
FEN1 P39748 1/20 0.34
PDE4A P27815 4/20 0.33
PDE4B Q07343 4/20 0.33
PDE4C Q08493 4/20 0.33
PDE4D Q08499 4/20 0.33
PDK2 Q15119 1/20 0.31

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
SCHEMBL19863898 0.96 ALDH1A1 (0.35) ALDH1A1TSHRCYP2C19FEN1PDE4A
SCHEMBL19863869 0.94 ALDH1A1 (0.35) ALDH1A1TSHRCYP2C19FEN1PDE4A
SCHEMBL17124071 0.94 ALDH1A1 (0.39) ALDH1A1TSHRCYP2C19FEN1PDE4A
SCHEMBL19869557 0.93 ALDH1A1 (0.32) ALDH1A1TSHRCYP2C19FEN1PDE4A
SCHEMBL19869526 0.92 ALDH1A1 (0.34) ALDH1A1TSHRCYP2C19FEN1PDE4A
SCHEMBL19863848 0.91 PDK2 (0.33) PDK2
SCHEMBL19869549 0.90 PDE4A (0.31) ALDH1A1TSHRCYP2C19PDE4APDE4B
SCHEMBL19863832 0.89 PDK2 (0.32) ALDH1A1PDK2
SCHEMBL19862290 0.88
SCHEMBL19862320 0.87

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 ALDH1A1 71/4885TSHR 3504/4885CYP2C19 50/4885
US-20180047908-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME ESR1, AOC2, PIEZO1 ALDH1A1 71/4885TSHR 3504/4885CYP2C19 50/4885

“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.