SCHEMBL1963348

SCHEMBL1963348

Brc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
SIGMAR1 Q99720 6/20 0.41
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
CYP1A1 P04798 3/20 0.36
CYP1B1 Q16678 3/20 0.36
CYP1A2 P05177 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL18921875 1.00 ALDH1A1 (0.44) ALDH1A1MAPK1SIGMAR1EGFRERBB2
SCHEMBL1959984 1.00 ALDH1A1 (0.44) ALDH1A1MAPK1SIGMAR1EGFRERBB2
SCHEMBL31160281 1.00 ALDH1A1 (0.44) ALDH1A1MAPK1SIGMAR1EGFRERBB2
SCHEMBL17740598 0.98 ALDH1A1 (0.42) ALDH1A1MAPK1SIGMAR1EGFRERBB2
SCHEMBL12476027 0.97 ALDH1A1 (0.48) ALDH1A1MAPK1SIGMAR1EGFRERBB2
SCHEMBL16282332 0.97 ALDH1A1 (0.48) ALDH1A1MAPK1SIGMAR1EGFRERBB2
SCHEMBL12156929 0.97 ALDH1A1 (0.42) ALDH1A1MAPK1SIGMAR1EGFRERBB2
SCHEMBL1032732 0.95 SIGMAR1 (0.44) ALDH1A1MAPK1SIGMAR1CYP1A2L3MBTL1
SCHEMBL29982826 0.95 SIGMAR1 (0.44) ALDH1A1MAPK1SIGMAR1CYP1A2L3MBTL1
SCHEMBL13854607 0.94 ALDH1A1 (0.43) ALDH1A1MAPK1SIGMAR1EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10786683-B2 Light-emitting devices for wound healing NITTO DENKO CORPORATION (JP) 2020-09-29 US disclosed
EP-2723721-B1 POLYPHENYLENE HOST COMPOUNDS NITTO DENKO CORP (JP) 2017-08-09 EP disclosed
EP-2723721-B1 POLYPHENYLENE HOST COMPOUNDS NITTO DENKO CORP (JP) 2017-08-09 EP disclosed
US-9548458-B2 Polyphenylene host compounds NITTO DENKO CORPORATION (JP) 2017-01-17 US disclosed
US-9548458-B2 Polyphenylene host compounds NITTO DENKO CORPORATION (JP) 2017-01-17 US disclosed
US-9548458-B2 Polyphenylene host compounds NITTO DENKO CORPORATION (JP) 2017-01-17 US disclosed
EP-2668247-B1 PHOTOTHERAPY DEVICES AND METHODS COMPRISING OPTIONALLY SUBSTITUTED TERPHENYL AND QUATERPHENYL COMPOUNDS NITTO DENKO CORP (JP) 2016-12-28 EP disclosed
US-20160325113-A1 Phototherapy Devices and Methods Comprising Optionally Substituted Quinquiesphenyl Compounds NITTO DENKO CORPORATION (JP) 2016-11-10 US disclosed
US-20160325113-A1 Phototherapy Devices and Methods Comprising Optionally Substituted Quinquiesphenyl Compounds NITTO DENKO CORPORATION (JP) 2016-11-10 US disclosed
US-20160325113-A1 Phototherapy Devices and Methods Comprising Optionally Substituted Quinquiesphenyl Compounds NITTO DENKO CORPORATION (JP) 2016-11-10 US disclosed
US-7425654-B2 Aromatic triamine compound and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2008-09-16 US disclosed
US-7425654-B2 Aromatic triamine compound and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2008-09-16 US disclosed
US-7425654-B2 Aromatic triamine compound and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2008-09-16 US disclosed
CN-101258126-A Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO (JP) 2008-09-03 CN disclosed
US-7405326-B2 Aromatic amine derivatives and electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2008-07-29 US disclosed
CN-101180262-A Aromatic triamine compound and organic electroluminescent element using the same IDEMITSU KOSAN CO (JP) 2008-05-14 CN disclosed
EP-1914222-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE MAKING USE OF THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-04-23 EP disclosed
EP-1873138-A1 AROMATIC TRIAMINE COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-01-02 EP disclosed
US-20070029927-A1 AROMATIC AMINE DERIVATIVES AND ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-02-08 US disclosed
US-20060232198-A1 Aromatic triamine compound and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2006-10-19 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 (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-20160325113-A1 Phototherapy Devices and Methods Comprising Optionally Substituted Quinquiesphenyl Compounds TYR, PPOX, TPMT ALDH1A1 266/4885MAPK1 4717/4885SIGMAR1 3910/4885
US-20060232198-A1 Aromatic triamine compound and organic electroluminescence device using the same TYR, PNMT, ALK ALDH1A1 1589/4885MAPK1 2191/4885SIGMAR1 1516/4885
US-20070029927-A1 AROMATIC AMINE DERIVATIVES AND ELECTROLUMINESCENCE DEVICE USING THE SAME TYR, MAOA, MAOB ALDH1A1 212/4885MAPK1 1508/4885SIGMAR1 1795/4885

“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.