SCHEMBL17655973

SCHEMBL17655973

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccc9ccccc9c8)n7)cc6)cc45)cc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
TNF P01375 1/20 0.44
HSD17B1 P14061 2/20 0.44
HSD17B2 P37059 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ESR1 P03372 3/20 0.42
ESR2 Q92731 3/20 0.42
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41

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
SCHEMBL27455921 1.00 ALDH1A1 (0.45) ALDH1A1KDM4ETP53SMN1; SMN2HSD17B10
SCHEMBL24377055 0.98 TNF (0.45) ALDH1A1KDM4ETP53SMN1; SMN2HSD17B10
SCHEMBL17655849 0.97 ALDH1A1 (0.45) ALDH1A1KDM4ETP53SMN1; SMN2HSD17B10
SCHEMBL27455712 0.97 ALDH1A1 (0.45) ALDH1A1KDM4ETP53SMN1; SMN2HSD17B10
SCHEMBL24377123 0.97 TNF (0.46) ALDH1A1KDM4ETP53SMN1; SMN2HSD17B10
SCHEMBL23633719 0.97 ALDH1A1 (0.47) ALDH1A1KDM4ETP53SMN1; SMN2HSD17B10
SCHEMBL26605972 0.95 CA12 (0.49) ALDH1A1KDM4ETP53SMN1; SMN2HSD17B10
SCHEMBL25816528 0.95 CA12 (0.49) ALDH1A1KDM4ETP53SMN1; SMN2HSD17B10
SCHEMBL25680776 0.95 ALDH1A1 (0.44) ALDH1A1KDM4ETP53SMN1; SMN2HSD17B10
SCHEMBL24377092 0.95 HSD17B1 (0.45) ALDH1A1KDM4ETP53SMN1; SMN2HSD17B10

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-9882145-B2 Hetero ring compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2018-01-30 US disclosed
US-9882145-B2 Hetero ring compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2018-01-30 US disclosed
US-20160141514-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-05-19 US disclosed
US-20160141514-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-05-19 US disclosed
EP-3002282-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG Chem, Ltd. (KR) 2016-04-06 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 (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-20160141514-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, CRY2, PER2 ALDH1A1 962/4885KDM4E 2098/4885TP53 2329/4885

“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.