SCHEMBL22158448

SCHEMBL22158448

c1ccc(-c2cccc3ccccc23)c(-c2nc3ccccc3o2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
HPGD P15428 7/20 0.60
MAPT P10636 6/20 0.60
HSD17B10 Q99714 6/20 0.60
ESR1 P03372 3/20 0.60
ESR2 Q92731 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
KDM4E B2RXH2 6/20 0.55
GAA P10253 2/20 0.55
USP2 O75604 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
TOP2A P11388 1/20 0.54
NPC1 O15118 5/20 0.53
TP53 P04637 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
PKM P14618 2/20 0.53
GLA P06280 1/20 0.53
CASP1 P29466 1/20 0.53

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
SCHEMBL29531231 0.93 ALDH1A1 (0.68) ALDH1A1HPGDMAPTHSD17B10ESR1
SCHEMBL987895 0.93 ALDH1A1 (0.68) ALDH1A1HPGDMAPTHSD17B10ESR1
SCHEMBL30022809 0.92 ALDH1A1 (0.66) ALDH1A1HPGDMAPTHSD17B10ESR1
SCHEMBL12854009 0.88 TOP2A (0.60) ALDH1A1HPGDMAPTHSD17B10MEN1
SCHEMBL29504749 0.86 TOP2A (0.62) ALDH1A1HPGDMAPTHSD17B10MEN1
SCHEMBL171055 0.86 TOP2A (0.62) ALDH1A1HPGDMAPTHSD17B10MEN1
SCHEMBL9890965 0.85 ALDH1A1 (0.56) ALDH1A1HPGDMAPTHSD17B10ESR1
SCHEMBL28681367 0.84 NPC1 (0.59) ALDH1A1HPGDMAPTHSD17B10ESR1
SCHEMBL13620986 0.83 NPC1 (0.51) ALDH1A1HPGDMAPTHSD17B10ESR1
SCHEMBL15745269 0.83 ALDH1A1 (0.52) ALDH1A1HPGDMAPTHSD17B10ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3683852-B1 ORGANIC ELECTROLUMINESCENT ELEMENT HODOGAYA CHEMICAL CO LTD (JP) 2023-11-22 EP disclosed
CN-111095588-B Organic electroluminescent element 保土谷化学工业株式会社 2023-11-17 CN disclosed
US-11578065-B2 Organic electroluminescence device HODOGAYA CHEMICAL CO., LTD. (JP) 2023-02-14 US disclosed
CN-110431680-B Organic electroluminescent element 保土谷化学工业株式会社 2022-07-08 CN disclosed
EP-3683852-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2020-07-22 EP disclosed
US-20200207748-A1 ORGANIC ELECTROLUMINESCENCE DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2020-07-02 US disclosed
CN-111095588-A Organic electroluminescent element 保土谷化学工业株式会社 2020-05-01 CN 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-20200207748-A1 ORGANIC ELECTROLUMINESCENCE DEVICE OR10J3, KCNN3, KCNN4 ALDH1A1 620/4885HPGD 4349/4885MAPT 3056/4885
US-11578065-B2 Organic electroluminescence device NAT1, LEF1, ESR1 ALDH1A1 160/4885HPGD 4583/4885MAPT 2172/4885

“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.