SCHEMBL997757

SCHEMBL997757

c1cnc2nc3cccnc3cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
CYP3A4 P08684 2/20 0.45
NQO2 P16083 1/20 0.44
KDM4E B2RXH2 4/20 0.44
HTT P42858 3/20 0.44
MAPT P10636 3/20 0.44
CASP1 P29466 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 2/20 0.44
HSP90AA1 P07900 2/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CASP7 P55210 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR4A2 P43354 1/20 0.44

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
SCHEMBL20272946 0.84 ALDH1A1 (0.44) ALDH1A1NPC1POLBRAB9ACYP3A4
SCHEMBL8170243 0.83 ALDH1A1 (0.54) ALDH1A1NPC1POLBRAB9ACYP3A4
SCHEMBL162529 0.83 ALDH1A1 (0.58) ALDH1A1NPC1POLBRAB9ACYP3A4
SCHEMBL28910441 0.83 ALDH1A1 (0.48) ALDH1A1NPC1POLBRAB9ACYP3A4
SCHEMBL13156531 0.81 ALDH1A1 (0.46) ALDH1A1NPC1POLBRAB9ACYP3A4
SCHEMBL2386458 0.80 ALDH1A1 (0.62) ALDH1A1NPC1POLBRAB9ACYP3A4
SCHEMBL29524245 0.80 ALDH1A1 (0.62) ALDH1A1NPC1POLBRAB9ACYP3A4
SCHEMBL31242880 0.80 ALDH1A1 (0.62) ALDH1A1NPC1POLBRAB9ACYP3A4
SCHEMBL20272948 0.79 ALDH1A1 (0.54) ALDH1A1NPC1POLBRAB9ACYP3A4
SCHEMBL13156534 0.79 NPC1 (0.48) ALDH1A1NPC1POLBRAB9ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118063517-A Compound containing 1, 3-diketone ligand, application thereof and organic electroluminescent device 北京绿人科技有限责任公司 2024-05-24 CN claimed
US-20240074310-A1 LIGHT-EMITTING DEVICE, AND DISPLAY APPARATUS AND ELECTRONIC APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2024-02-29 US claimed
CN-117596910-A Light emitting device, display apparatus including the same, and electronic apparatus 三星显示有限公司 2024-02-23 CN claimed
US-20220216419-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2022-07-07 US claimed
CN-118063517-A Compound containing 1, 3-diketone ligand, application thereof and organic electroluminescent device 北京绿人科技有限责任公司 2024-05-24 CN disclosed
US-20240157322-A1 CROSSLINKED CORE-SHELL MICROCAPSULES FIRMENICH SA (CH) 2024-05-16 US disclosed
US-20240149237-A1 ACETOACETYL POLYMER - BASED MICROCAPSULES FIRMENICH SA (CH) 2024-05-09 US disclosed
CN-220755379-U Light emitting device, display apparatus including the same, and electronic apparatus 三星显示有限公司 2024-04-09 CN disclosed
US-20240074310-A1 LIGHT-EMITTING DEVICE, AND DISPLAY APPARATUS AND ELECTRONIC APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2024-02-29 US disclosed
CN-117596910-A Light emitting device, display apparatus including the same, and electronic apparatus 三星显示有限公司 2024-02-23 CN disclosed
EP-4313396-A1 ACETOACETYL POLYMER-BASED MICROCAPSULES Firmenich SA (CH) 2024-02-07 EP disclosed
EP-4313393-A1 CROSSLINKED CORE-SHELL MICROCAPSULES Firmenich SA (CH) 2024-02-07 EP disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US disclosed
EP-1679309-A1 ANTISTRESS DRUG AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
EP-1666472-A1 PHENYLACETIC ACID DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-07 EP disclosed
EP-1661879-A1 DIPHENYL ETHER COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 EP disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 EP disclosed
US-4801590-A ANGINA, ANTICANCER, CARDIOVASCULAR DISORDERS, HEADACHES, PSORIASIS, ASTHMA, ANTICOAGULANTS BEIERSDORF AG (DE) 1989-01-31 US disclosed
US-4119631-A Penicillins and their preparation E. MERCK, PATENTABTEILUNG (DE) 1978-10-10 US disclosed
US-4031230-A Novel penicillins and their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-06-21 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 (1 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-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS ALDH1A1 1422/4885NPC1 707/4885POLB 1026/4885

“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.