SCHEMBL17700993

SCHEMBL17700993

Brc1ccc(-c2ccc(-c3ccccc3N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
MAPK1 P28482 2/20 0.52
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SLC6A3 Q01959 1/20 0.37
TDP1 Q9NUW8 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
PTPRC P08575 1/20 0.34

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
SCHEMBL15662355 0.98 ALDH1A1 (0.54) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL16577756 0.98 ALDH1A1 (0.54) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL15662815 0.98 ALDH1A1 (0.54) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL4608172 0.98 ALDH1A1 (0.54) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL18859311 0.96 ALDH1A1 (0.45) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL5918737 0.95 ALDH1A1 (0.54) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL66251 0.95 ALDH1A1 (0.54) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL3740437 0.95 ALDH1A1 (0.46) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL15525343 0.95 ALDH1A1 (0.46) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL8577005 0.93 ALDH1A1 (0.43) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2

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
EP-3282496-B1 ORGANIC ELECTROLUMINESCENT ELEMENT HODOGAYA CHEMICAL CO LTD (JP) 2023-04-26 EP disclosed
EP-3671885-B1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO LTD (JP) 2023-03-01 EP disclosed
EP-3229284-B1 ORGANIC ELECTROLUMINESCENT ELEMENT HODOGAYA CHEMICAL CO LTD (JP) 2022-08-31 EP disclosed
US-11158811-B2 Organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2021-10-26 US disclosed
EP-3163644-B1 ORGANIC ELECTROLUMINESCENT ELEMENT HODOGAYA CHEMICAL CO LTD (JP) 2021-03-24 EP disclosed
EP-3671885-A1 ORGANIC ELECTROLUMINESCENT DEVICE Hodogaya Chemical Co., Ltd. (JP) 2020-06-24 EP disclosed
EP-3021372-B1 ORGANIC ELECTROLUMINESCENT ELEMENT HODOGAYA CHEMICAL CO LTD (JP) 2020-03-18 EP disclosed
US-20180114916-A1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2018-04-26 US disclosed
EP-3282496-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2018-02-14 EP disclosed
US-20170346015-A1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2017-11-30 US disclosed
EP-3163644-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2017-05-03 EP disclosed
US-20170117481-A1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2017-04-27 US disclosed
EP-3021372-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2016-05-18 EP disclosed
US-20160118591-A1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2016-04-28 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 (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-20180114916-A1 ORGANIC ELECTROLUMINESCENT DEVICE AHR, SLC18A1, ARNT ALDH1A1 244/4885MAPK1 383/4885NPC1 1192/4885
US-20170117481-A1 ORGANIC ELECTROLUMINESCENT DEVICE KCNN2, KCNN1, SLC7A5 ALDH1A1 559/4885MAPK1 889/4885NPC1 1607/4885

“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.