SCHEMBL17754459

SCHEMBL17754459

c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3cccc(-c4ccc5c(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cccc5c4)c3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.51
CYP1B1 Q16678 1/20 0.51
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 3/20 0.49
LMNA P02545 2/20 0.49
GLA P06280 1/20 0.49
NTSR1 P30989 1/20 0.44
CYP1A2 P05177 2/20 0.43
PIM1 P11309 1/20 0.43
HSD17B1 P14061 2/20 0.42
HSD17B2 P37059 2/20 0.42
CTRC Q99895 1/20 0.41
MAOB P27338 4/20 0.41
MAOA P21397 3/20 0.41
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL17655936 0.95 MEN1 (0.54) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL17655883 0.95 MEN1 (0.53) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL17655977 0.93 MEN1 (0.51) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL17655933 0.93 MEN1 (0.50) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL17655824 0.93 HSD17B1 (0.47) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL17754458 0.93 MEN1 (0.51) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL18965445 0.92 MEN1 (0.50) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL18965464 0.92 MEN1 (0.50) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL22310025 0.91 CYP1A1 (0.48) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL22617963 0.91 CYP1A1 (0.49) CYP1A1CYP1B1MEN1KMT2AALDH1A1

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 4 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

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 CYP1A1 577/4885CYP1B1 610/4885MEN1 2891/4885

“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.