SCHEMBL4084653

SCHEMBL4084653

c1ccc2cc(N(c3ccc4ccc5c(N(c6ccc7ccccc7c6)c6cccc7c6oc6ccccc67)ccc6ccc3c4c65)c3cccc4c3oc3ccccc34)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.34
NPC1 O15118 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
AHR P35869 3/20 0.34
ERBB2 P04626 1/20 0.34
FYN P06241 1/20 0.34
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
ALOX5 P09917 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
THRB P10828 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PRKDC P78527 1/20 0.30
NQO1 P15559 2/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL20696440 0.99 CYP1A2 (0.36) CYP1A2NPC1CYP2C9CYP2C19RAB9A
SCHEMBL20696541 0.92 AHR (0.36) CYP1A2RAB9AAHRERBB2FYN
SCHEMBL17737631 0.91 NPC1 (0.39) CYP1A2NPC1CYP2C9CYP2C19RAB9A
SCHEMBL24425475 0.91
SCHEMBL20696540 0.91 AHR (0.35) CYP1A2NPC1CYP2C9CYP2C19RAB9A
SCHEMBL16419355 0.89 CYP1A2 (0.33) CYP1A2NPC1CYP2C9CYP2C19RAB9A
SCHEMBL26046218 0.89 HPRT1 (0.38) CYP1A2NPC1CYP2C9CYP2C19RAB9A
SCHEMBL4079091 0.88 MAPT (0.35) CYP1A2NPC1CYP2C19RAB9AAHR
SCHEMBL25768999 0.88 CYP1A1 (0.39) CYP1A2NPC1CYP2C9CYP2C19RAB9A
SCHEMBL12206533 0.88 CYP1A2 (0.36) CYP1A2AHRERBB2FYNMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117065-A1 LIGHT EMITTING ELEMENT SAMSUNG DISPLAY CO., LTD. (KR) 2023-04-20 US disclosed
US-20220029136-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2022-01-27 US disclosed
US-20210408386-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2021-12-30 US disclosed
US-20210320265-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2021-10-14 US disclosed
US-20210296589-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2021-09-23 US disclosed
US-8431250-B2 Aromatic amine derivative, and organic electroluminescent element comprising the same IDEMITSU KOSAN CO., LTD. (JP) 2013-04-30 US disclosed
US-8431250-B2 Aromatic amine derivative, and organic electroluminescent element comprising the same IDEMITSU KOSAN CO., LTD. (JP) 2013-04-30 US disclosed
US-20120112169-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-10 US disclosed
US-20120112169-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-10 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 (3 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-20210296589-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME OCIAD1, OCIAD2, BRD1 CYP1A2 112/4885NPC1 1232/4885CYP2C9 267/4885
US-20120112169-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AR, H1-4, AFF4 CYP1A2 570/4885NPC1 3895/4885CYP2C9 2124/4885
US-20230117065-A1 LIGHT EMITTING ELEMENT SLC39A14, SLC39A3, SLC9A2 CYP1A2 1949/4885NPC1 726/4885CYP2C9 1919/4885

“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.