SCHEMBL825591

SCHEMBL825591

C=Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 2/20 0.45
CYP3A4 P08684 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
APP P05067 2/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CRHBP P24387 1/20 0.38
ATM Q13315 1/20 0.38
CRHR2 Q13324 1/20 0.38
TLR9 Q9NR96 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL22269957 1.00 ALDH1A1 (0.52) ALDH1A1TSHRL3MBTL1MAPTCYP3A4
SCHEMBL14529750 1.00 ALDH1A1 (0.52) ALDH1A1TSHRL3MBTL1MAPTCYP3A4
SCHEMBL825765 1.00 ALDH1A1 (0.52) ALDH1A1TSHRL3MBTL1MAPTCYP3A4
SCHEMBL8355091 1.00 ALDH1A1 (0.52) ALDH1A1TSHRL3MBTL1MAPTCYP3A4
SCHEMBL13778855 1.00 ALDH1A1 (0.52) ALDH1A1TSHRL3MBTL1MAPTCYP3A4
SCHEMBL22332068 1.00 ALDH1A1 (0.52) ALDH1A1TSHRL3MBTL1MAPTCYP3A4
SCHEMBL5880683 1.00 ALDH1A1 (0.52) ALDH1A1TSHRL3MBTL1MAPTCYP3A4
SCHEMBL21730727 1.00 ALDH1A1 (0.52) ALDH1A1TSHRL3MBTL1MAPTCYP3A4
SCHEMBL10160435 0.98 ALDH1A1 (0.50) ALDH1A1TSHRL3MBTL1MAPTCYP3A4
SCHEMBL10160374 0.98 ALDH1A1 (0.50) ALDH1A1TSHRL3MBTL1MAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588527-B1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) NISSAN CHEMICAL IND LTD (JP) 2017-10-25 EP disclosed
US-20170186953-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-06-29 US disclosed
US-20170186953-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-06-29 US disclosed
US-9590179-B2 Curable composition, cured product, and organic electroluminescent element using same NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2017-03-07 US disclosed
US-9590179-B2 Curable composition, cured product, and organic electroluminescent element using same NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2017-03-07 US disclosed
US-9577194-B2 Hole transport compositions and related devices and methods (I) NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-02-21 US disclosed
US-9577194-B2 Hole transport compositions and related devices and methods (I) NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-02-21 US disclosed
US-8945726-B2 Polymer for organic electroluminescent element, and organic electroluminescent element using the same NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-8945726-B2 Polymer for organic electroluminescent element, and organic electroluminescent element using the same NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-8815639-B2 Hole transport compositions and related devices and methods (II) SOLVAY USA, INC. (US) 2014-08-26 US disclosed
US-20120313513-A1 POLYMER FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2012-12-13 US disclosed
US-20120003790-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AMD METHODS (II) PLEXTRONICS, INC. 2012-01-05 US disclosed
US-20120003790-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AMD METHODS (II) PLEXTRONICS, INC. 2012-01-05 US disclosed
US-20120001127-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) PLEXTRONICS, INC. 2012-01-05 US disclosed
US-20120001127-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) PLEXTRONICS, INC. 2012-01-05 US disclosed
WO-2012003485-A2 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) PLEXTRONICS, INC. (US) 2012-01-05 WO disclosed
WO-2012003482-A2 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (II) PLEXTRONICS, INC. (US) 2012-01-05 WO disclosed
US-20110118429-A1 CHARGE TRANSPORT MATERIALS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-19 US disclosed
US-20110017988-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, LIGHTING DEVICE AND DISPLAY DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2011-01-27 US disclosed
US-20110017988-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, LIGHTING DEVICE AND DISPLAY DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2011-01-27 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 (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-20120001127-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) OCIAD2, OCIAD1, SLCO1B1 ALDH1A1 1910/4885TSHR 3219/4885L3MBTL1 1672/4885
US-20110118429-A1 CHARGE TRANSPORT MATERIALS SLC6A19, SLC6A15, SLC43A3 ALDH1A1 4331/4885TSHR 4384/4885L3MBTL1 2680/4885

“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.