SCHEMBL2745726

SCHEMBL2745726

c1ccc(N(c2ccccc2)c2ccc(Nc3cc(Nc4ccc(N(c5ccccc5)c5ccccc5)cc4)cc(Nc4ccc(N(c5ccccc5)c5ccccc5)cc4)c3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.52
▸ L3MBTL1 Q9Y468 5/20 0.52
▸ HSD17B10 Q99714 5/20 0.52
▸ TDP1 Q9NUW8 5/20 0.52
▸ TSHR P16473 4/20 0.52
▸ ALOX12 P18054 3/20 0.52
▸ ALOX15 P16050 2/20 0.52
▸ PTGS1 P23219 1/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ PTGS2 P35354 1/20 0.52
▸ HTR2B P41595 1/20 0.52
▸ MAPT P10636 5/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ AR P10275 1/20 0.52
▸ CYP3A4 P08684 6/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48

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
SCHEMBL13148724 0.93 ALDH1A1 (0.60) ALDH1A1L3MBTL1HSD17B10TDP1TSHR
SCHEMBL21368526 0.93 ALDH1A1 (0.60) ALDH1A1L3MBTL1HSD17B10TDP1TSHR
SCHEMBL968789 0.93 ALDH1A1 (0.60) ALDH1A1L3MBTL1HSD17B10TDP1TSHR
SCHEMBL16168638 0.93 ALDH1A1 (0.60) ALDH1A1L3MBTL1HSD17B10TDP1TSHR
SCHEMBL17703878 0.93 ALDH1A1 (0.60) ALDH1A1L3MBTL1HSD17B10TDP1TSHR
SCHEMBL16168615 0.93 ALDH1A1 (0.60) ALDH1A1L3MBTL1HSD17B10TDP1TSHR
SCHEMBL13148780 0.93 ALDH1A1 (0.60) ALDH1A1L3MBTL1HSD17B10TDP1TSHR
SCHEMBL15730724 0.91 ALDH1A1 (0.65) ALDH1A1L3MBTL1HSD17B10TDP1TSHR
SCHEMBL20684708 0.91 ALDH1A1 (0.65) ALDH1A1L3MBTL1HSD17B10TDP1TSHR
SCHEMBL11961727 0.91 ALDH1A1 (0.65) ALDH1A1L3MBTL1HSD17B10TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7097355-A — — None — — JP disclosed
US-8704242-B2 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-04-22 — — US disclosed
US-20120181523-A1 AROMATIC AMINE COMPOUND, AND LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, AND ELECTRONIC DEVICE USING AROMATIC AMINE COMPOUND SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-07-19 — — US disclosed
US-8178885-B2 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-15 — — US disclosed
US-20100308319-A1 AROMATIC AMINE COMPOUND, AND LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, AND ELECTRONIC DEVICE USING AROMATIC AMINE COMPOUND SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-12-09 — — US disclosed
US-7795449-B2 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-09-14 — — US disclosed
US-20080312454-A1 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-12-18 — — US disclosed
US-7442803-B2 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-10-28 — — US disclosed
US-20070096639-A1 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-05-03 — — US disclosed
WO-2007046486-A1 AROMATIC AMINE COMPOUND, AND LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, AND ELECTRONIC DEVICE USING AROMATIC AMINE COMPOUND SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-04-26 — — WO disclosed
EP-0611148-B1 Trisarylaminobenzene derivatives, compounds for organic EL element, and organic EL element SHIROTA YASUHIKO (JP) 1998-06-03 — — EP disclosed
US-5508136-A USEFUL IN HOLE INJECTION TRANSPORT LAYER WHICH PROVIDES UNIFORM PLANE LIGHT EMISSION AND IS DURABLE ENOUGH TO MAINTAIN LUMINANCE Shirota, Yasuhiko (JP) 1996-04-16 — — US disclosed
JP-H0797355-A TRIS(ARYLAMINO)BENZENE DERIVATIVE, COMPOUND FOR ORGANIC EL ELEMENT AND ORGANIC EL ELEMENT SHIROTA YASUHIKO 1995-04-11 — — JP disclosed
EP-0611148-A1 Trisarylaminobenzene derivatives, compounds for organic EL element, and organic EL element Shirota, Yasuhiko (JP) 1994-08-17 — — 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 (2 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-20080312454-A1 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound TYR, HEATR1, HSF1 ALDH1A1 43/4885L3MBTL1 951/4885HSD17B10 3041/4885
US-20070096639-A1 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound TYR, HEATR1, HSF1 ALDH1A1 43/4885L3MBTL1 951/4885HSD17B10 3041/4885

“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.

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