SCHEMBL19009628

SCHEMBL19009628

c1cncc(-c2ccc(-c3ccc4c5ccc(-c6ccc(-c7cccnc7)cn6)cc5c5ccccc5c4c3)nc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.50
CYP3A4 P08684 4/20 0.50
CYP11B1 P15538 4/20 0.49
CYP11B2 P19099 3/20 0.49
CYP1A2 P05177 3/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP19A1 P11511 2/20 0.47
CYP17A1 P05093 1/20 0.47
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
PIM1 P11309 3/20 0.44
PIM3 Q86V86 2/20 0.44
PIM2 Q9P1W9 2/20 0.44
PIK3CA P42336 1/20 0.44
QPCT Q16769 1/20 0.44
QPCTL Q9NXS2 1/20 0.44
DHODH Q02127 1/20 0.44
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
HIF1A Q16665 2/20 0.43

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
SCHEMBL19172891 1.00 CYP2A6 (0.50) CYP2A6CYP3A4CYP11B1CYP11B2CYP1A2
SCHEMBL17426584 1.00 CYP2A6 (0.50) CYP2A6CYP3A4CYP11B1CYP11B2CYP1A2
SCHEMBL15459489 0.95 CYP2A6 (0.53) CYP2A6CYP3A4CYP11B1CYP11B2CYP1A2
SCHEMBL15459428 0.95 CYP2A6 (0.53) CYP2A6CYP3A4CYP11B1CYP11B2CYP1A2
SCHEMBL19172029 0.95 CYP2A6 (0.53) CYP2A6CYP3A4CYP11B1CYP11B2CYP1A2
SCHEMBL15459436 0.95 CYP2A6 (0.53) CYP2A6CYP3A4CYP11B1CYP11B2CYP1A2
SCHEMBL15459470 0.95 CYP2A6 (0.53) CYP2A6CYP3A4CYP11B1CYP11B2CYP1A2
SCHEMBL15459497 0.95 CYP2A6 (0.53) CYP2A6CYP3A4CYP11B1CYP11B2CYP1A2
SCHEMBL15459454 0.95 CYP2A6 (0.53) CYP2A6CYP3A4CYP11B1CYP11B2CYP1A2
SCHEMBL15459437 0.92 CYP2A6 (0.56) CYP2A6CYP3A4CYP11B1CYP11B2CYP1A2

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-11329230-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2022-05-10 US disclosed
US-20170317294-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-11-02 US disclosed
US-20170317294-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-11-02 US disclosed
US-20170179402-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 US disclosed
US-20170179402-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 US 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 (1 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-11329230-B2 Organic light-emitting device EML4, SUN2, TRPA1 CYP2A6 1675/4885CYP3A4 247/4885CYP11B1 759/4885

“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.