SCHEMBL4594838

SCHEMBL4594838

c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccc5)c5ccccc5n4)cc3)nc3ccccc23)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 4/20 0.75
ACHE P22303 1/20 0.63
HPGD P15428 4/20 0.63
KDM4E B2RXH2 4/20 0.63
ALDH1A1 P00352 3/20 0.63
MAPT P10636 3/20 0.63
MAPK1 P28482 2/20 0.63
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
DHODH Q02127 1/20 0.59
LMNA P02545 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
TOP1 P11387 2/20 0.58
PDE10A Q9Y233 1/20 0.58
MEN1 O00255 1/20 0.54
RECQL P46063 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
AURKA O14965 1/20 0.53
AURKB Q96GD4 1/20 0.53

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
SCHEMBL4607752 0.98 ACACA (0.73) ACACAACHEHPGDKDM4EALDH1A1
SCHEMBL1042853 0.98 ACACA (0.72) ACACAACHEHPGDKDM4EALDH1A1
SCHEMBL29399315 0.98 ACACA (0.72) ACACAACHEHPGDKDM4EALDH1A1
SCHEMBL16990162 0.96 ACACA (0.70) ACACAACHEHPGDKDM4EALDH1A1
SCHEMBL19794400 0.93 ACACA (0.67) ACACAACHEHPGDKDM4EALDH1A1
SCHEMBL21667537 0.93 ACACA (0.67) ACACAACHEHPGDKDM4EALDH1A1
SCHEMBL669466 0.92 ACACA (0.65) ACACAACHEHPGDKDM4EALDH1A1
SCHEMBL5222126 0.91 ACACA (0.64) ACACAACHEHPGDKDM4EALDH1A1
SCHEMBL15618040 0.91 ACACA (0.69) ACACAACHEHPGDKDM4EALDH1A1
SCHEMBL17463551 0.91 ACACA (0.65) ACACAACHEHPGDKDM4EALDH1A1

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311009-B1 Organic light emitting devices LG DISPLAY CO LTD (KR) 2008-10-29 EP claimed
US-6773830-B2 TERTIARY AROMATIC AMINE (TETRAARYLBENZIDINE), METAL OXINOID, (8-HYDROXYQUINOLINE ALUMINUM); AND GREEN EMITTING COUMARIN DYE (BENZOTHIAZOLYL)-TETRAHYDRO-TETRAMETHYL-1H, 5H, 11H-(1) BENZOPYROPYRANO (6,7,-8-IJ) QUINOLIZIN-11-ONE) XEROX CORPORATION 2004-08-10 US claimed
US-6759146-B2 A MIXED REGION OF A FIRST HOLE TRANSPORT MATERIAL AND AN ELECTRON TRANSPORT LUMINESCENT MATERIAL, BOTH OF WHICH CAN FUNCTION AS A LUMINESCENT MATERIAL, AND ALSO A LUNINESCENT MATERIAL; HIGH-TEMPERATURE HEAT RESISTANCE; DURABILITY XEROX CORPORATION 2004-07-06 US claimed
US-6753098-B2 Organic light emitting devices XEROX CORPORATION 2004-06-22 US claimed
US-6740429-B2 HOLE TRANSPORT LAYER CONTAINING A PORPHYRIN; MIXED REGION CONTAINING THE HOLE TRANSPORT MATERIAL, ELECTRON TRANSPORT MATERIAL, AND OPTIONALLY A LUMINESCENT MATERIAL; ELECTRON TRANSPORT REGION XEROX CORPORATION 2004-05-25 US claimed
US-6737177-B2 TERTIARY AROMATIC AMINE (TETRAARYLBENZIDINE), METAL OXINOID, (8-HYDROXYQUINOLINE ALUMINUM); AND RED EMITTING NITROGEN HETEROCYCLE METAL COORDINATION COMPOUND, (OCTAETHYL-21H, 23H-PORPHINE PLATINUM) XEROX CORPORATION 2004-05-18 US claimed
US-20030134146-A1 Organic devices XEROX CORPORATION 2003-07-17 US claimed
US-20030104243-A1 Green organic light emitting devices XEROX CORPORATION 2003-06-05 US claimed
US-20030104242-A1 Tertiary aromatic amine (tetraarylbenzidine), metal oxinoid, (8-hydroxyquinoline aluminum); and red emitting nitrogen heterocycle metal coordination compound, (octaethyl-21H, 23H-porphine platinum) XEROX CORPORATION 2003-06-05 US claimed
US-20030104244-A1 Organic light emitting devices XEROX CORPORATION 2003-06-05 US claimed
EP-1311009-A2 Organic light emitting devices Xerox Corporation (US) 2003-05-14 EP claimed
US-20030087125-A1 Organic light emitting devices XEROX CORPORATION 2003-05-08 US claimed
EP-1385221-B1 Display device with anthracene and triazine derivtives LG DISPLAY CO LTD (KR) 2015-12-02 EP disclosed
US-9169208-B2 Aromatic and aromatic/heteroaromatic molecular structures with controllable electron conducting properties E I DU PONT DE NEMOURS AND COMPANY (US) 2015-10-27 US disclosed
EP-1669428-B1 Organic electroluminescent devices LG DISPLAY CO LTD (KR) 2013-07-24 EP disclosed
US-20120135249-A1 AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-31 US disclosed
EP-1311140-A1 Organic light emitting device Xerox Corporation (US) 2003-05-14 EP disclosed
EP-1311139-A1 Green organic light emitting devices Xerox Corporation (US) 2003-05-14 EP disclosed
US-6562982-B1 Electroluminescent device comprised of an anode, a cathode, and situated between the anode and the cathode a carbazole layer of the formula for Light Emitting Devices, charge transport/luminescent carbazole materials illustrated herein XEROX CORPORATION 2003-05-13 US disclosed
US-20030087125-A1 Organic light emitting devices XEROX CORPORATION 2003-05-08 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-20120135249-A1 AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES AHR, TYR, ARNT ACACA 1232/4885ACHE 1843/4885HPGD 4124/4885

“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.