SCHEMBL13845100

SCHEMBL13845100

Nc1cccc2c(-c3ccccc3)cccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
HSD17B10 Q99714 4/20 0.65
CYP3A4 P08684 3/20 0.62
HPGD P15428 3/20 0.62
TSHR P16473 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
KEAP1 Q14145 2/20 0.52
LIMK1 P53667 2/20 0.50
MAP4K4 O95819 1/20 0.50
CSF1R P07333 1/20 0.50
FGFR1 P11362 1/20 0.50
PDGFRA P16234 1/20 0.50
LTK P29376 1/20 0.50
KDR P35968 1/20 0.50
MAPK8 P45983 1/20 0.50
CSNK1A1 P48729 1/20 0.50
CDK5 Q00535 1/20 0.50
ACVR1 Q04771 1/20 0.50
TNK2 Q07912 1/20 0.50
AURKB Q96GD4 1/20 0.50

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
SCHEMBL2208987 0.88 ALDH1A1 (0.54) ALDH1A1HSD17B10CYP3A4HPGDTSHR
SCHEMBL24901300 0.86 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP3A4HPGDTSHR
SCHEMBL28088774 0.85 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP3A4HPGDTSHR
SCHEMBL2391683 0.84 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDLIMK1MAP4K4
SCHEMBL17035142 0.84 ALDH1A1 (0.70) ALDH1A1HSD17B10CYP3A4HPGDTSHR
SCHEMBL25486860 0.84 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP3A4HPGDTSHR
SCHEMBL30309289 0.82 KEAP1 (0.57) ALDH1A1HSD17B10CYP3A4HPGDTSHR
SCHEMBL19859798 0.82 ALDH1A1 (0.81) ALDH1A1HSD17B10CYP3A4HPGDTSHR
SCHEMBL29370338 0.82 ALDH1A1 (0.81) ALDH1A1HSD17B10CYP3A4HPGDTSHR
SCHEMBL23625587 0.80 ALDH1A1 (0.54) ALDH1A1HSD17B10CYP3A4HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3670520-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2022-01-12 EP disclosed
EP-3174121-B1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2021-11-17 EP disclosed
WO-2021033728-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2021-02-25 WO disclosed
EP-3712145-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SUCH COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-09-23 EP disclosed
EP-3670520-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-06-24 EP disclosed
EP-3561894-A1 DIAMINE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2019-10-30 EP disclosed
US-20190237676-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-08-01 US disclosed
EP-2915804-B1 NOVEL AMINE DERIVATIVE OR SALT THEREOF AS TNF ALPHA INHIBITORS FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-03-27 EP disclosed
EP-2915804-B1 NOVEL AMINE DERIVATIVE OR SALT THEREOF AS TNF ALPHA INHIBITORS FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-03-27 EP disclosed
CN-104870422-B Amine derivative or its salt 富士胶片富山化学株式会社 2019-03-15 CN disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 US disclosed
US-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2015-10-22 US disclosed
US-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2015-10-22 US disclosed
US-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2015-10-22 US disclosed
EP-2915804-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2015-09-09 EP disclosed
EP-2915804-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2015-09-09 EP disclosed
CN-104870422-A Novel amine derivative or salt thereof TOYAMA CHEMICAL CO LTD 2015-08-26 CN disclosed
WO-2014069510-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF 富山化学工業株式会社 (JP) 2014-05-08 WO disclosed
US-20090134785-A1 ORGANOMETALLIC COMPLEX, ORGANIC LIGHT-EMITTING ELEMENT USING SAME, AND DISPLAY DEVICE CANON KABUSHIKI KAISHA (JP) 2009-05-28 US disclosed
US-20090134785-A1 ORGANOMETALLIC COMPLEX, ORGANIC LIGHT-EMITTING ELEMENT USING SAME, AND DISPLAY DEVICE CANON KABUSHIKI KAISHA (JP) 2009-05-28 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-20090134785-A1 ORGANOMETALLIC COMPLEX, ORGANIC LIGHT-EMITTING ELEMENT USING SAME, AND DISPLAY DEVICE MNS1, NOM1, AP3M1 ALDH1A1 1348/4885HSD17B10 4013/4885CYP3A4 3589/4885
US-20190237676-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC18A2, SLC18A1, MAOA ALDH1A1 89/4885HSD17B10 661/4885CYP3A4 550/4885
US-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF HRH4, CLIC4, KRT18 ALDH1A1 1842/4885HSD17B10 1098/4885CYP3A4 3873/4885

“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.