SCHEMBL13643294

SCHEMBL13643294

Nc1ccc(-c2ccc3ccccc3c2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.52
DHFR P00374 1/20 0.49
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 1/20 0.46
HPRT1 P00492 1/20 0.46
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KEAP1 Q14145 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.43
AR P10275 1/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
GFER P55789 1/20 0.43
NFKB2 Q00653 1/20 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
SCHEMBL18903051 0.91 ALDH1A1 (0.52) GSTP1DHFRKDM4ECYP1A2HPRT1
SCHEMBL3193310 0.88 GSTP1 (0.64) GSTP1DHFRKDM4ECYP1A2ADORA2A
SCHEMBL3193631 0.86 GSTP1 (0.61) GSTP1DHFRKDM4ECYP1A2ADORA2A
SCHEMBL31069702 0.81 GSTP1 (0.61) GSTP1DHFRKDM4ECYP1A2ADORA2A
SCHEMBL3176171 0.81 GSTP1 (0.61) GSTP1DHFRKDM4ECYP1A2ALDH1A1
SCHEMBL29940725 0.81 GSTP1 (0.52) GSTP1DHFRKDM4ECYP1A2HPRT1
SCHEMBL6308539 0.81 GSTP1 (0.52) GSTP1DHFRKDM4ECYP1A2HPRT1
SCHEMBL22517276 0.80 GSTP1 (0.55) GSTP1DHFRKDM4ECYP1A2ADORA2A
SCHEMBL9223723 0.79 GSTP1 (0.59) GSTP1DHFRKDM4ECYP1A2CYP3A4
Naphthalene SCHEMBL3945154 0.78 ALDH1A1 (0.65) KDM4EHPRT1ALDH1A1CYP3A4HSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022045743-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2022-03-03 WO disclosed
WO-2021107030-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2021-06-03 WO disclosed
US-8796917-B2 Compound for an organic optoelectronic device, organic light emitting diode including the same, and display including the organic light emitting diode CHEIL INDUSTRIES, INC (KR) 2014-08-05 US disclosed
US-8796917-B2 Compound for an organic optoelectronic device, organic light emitting diode including the same, and display including the organic light emitting diode CHEIL INDUSTRIES, INC (KR) 2014-08-05 US disclosed
US-20120280613-A1 COMPOUND FOR AN ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-11-08 US disclosed
US-20120280613-A1 COMPOUND FOR AN ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-11-08 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-20120280613-A1 COMPOUND FOR AN ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE OR51E2, AOX1, OR10J3 GSTP1 1236/4885DHFR 409/4885KDM4E 3229/4885

“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.