SCHEMBL8645847

SCHEMBL8645847

COc1cc(C=C(C#N)C(=O)O)cc(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
NQO2 P16083 1/20 0.53
EGFR P00533 2/20 0.51
SLC16A3 O15427 2/20 0.51
SLC16A1 P53985 2/20 0.51
CISD1 Q9NZ45 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
HPGD P15428 1/20 0.51
GPR35 Q9HC97 1/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP1A2 P05177 1/20 0.47

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
SCHEMBL23572563 1.00 KDM4E (0.54) KDM4ENQO2EGFRSLC16A3SLC16A1
SCHEMBL21637636 1.00 KDM4E (0.54) KDM4ENQO2EGFRSLC16A3SLC16A1
SCHEMBL6912220 0.88 NQO2 (0.48) KDM4ENQO2EGFRSLC16A3SLC16A1
SCHEMBL6912223 0.88 NQO2 (0.48) KDM4ENQO2EGFRSLC16A3SLC16A1
SCHEMBL29248337 0.84 KDM4E (0.68) KDM4EEGFRSLC16A3SLC16A1CISD1
SCHEMBL782091 0.83 ALDH1A1 (0.65) KDM4EEGFRSLC16A3SLC16A1CISD1
SCHEMBL782092 0.83 ALDH1A1 (0.65) KDM4EEGFRSLC16A3SLC16A1CISD1
SCHEMBL4968638 0.83 ALDH1A1 (0.65) KDM4EEGFRSLC16A3SLC16A1CISD1
SCHEMBL11761701 0.81 KDM4E (0.56) KDM4ENQO2SLC16A3SLC16A1ALDH1A1
SCHEMBL8646383 0.81 KDM4E (0.56) KDM4ENQO2SLC16A3SLC16A1ALDH1A1

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
US-11802106-B2 Cathode buffer layer material and organic or organic/inorganic hybrid photoelectric device comprising same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-10-31 US claimed
US-20210198188-A1 NOVEL CATHODE BUFFER LAYER MATERIAL AND ORGANIC OR ORGANIC/INORGANIC HYBRID PHOTOELECTRIC DEVICE COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-07-01 US claimed
WO-2020017739-A1 NOVEL CATHODE BUFFER LAYER MATERIAL AND ORGANIC OR ORGANIC/INORGANIC HYBRID PHOTOELECTRIC DEVICE COMPRISING SAME 한국화학연구원 2020-01-23 WO claimed
US-11802106-B2 Cathode buffer layer material and organic or organic/inorganic hybrid photoelectric device comprising same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-10-31 US disclosed
US-20210198188-A1 NOVEL CATHODE BUFFER LAYER MATERIAL AND ORGANIC OR ORGANIC/INORGANIC HYBRID PHOTOELECTRIC DEVICE COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-07-01 US disclosed
WO-2020017739-A1 NOVEL CATHODE BUFFER LAYER MATERIAL AND ORGANIC OR ORGANIC/INORGANIC HYBRID PHOTOELECTRIC DEVICE COMPRISING SAME 한국화학연구원 2020-01-23 WO disclosed
US-5830441-A SUNSCREEN AGENTS ISP INVESTMENTS INC. (US) 1998-11-03 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-11802106-B2 Cathode buffer layer material and organic or organic/inorganic hybrid photoelectric device comprising same DCX, CDH1, CACNA2D3 KDM4E 1369/4885NQO2 1703/4885EGFR 4368/4885
US-20210198188-A1 NOVEL CATHODE BUFFER LAYER MATERIAL AND ORGANIC OR ORGANIC/INORGANIC HYBRID PHOTOELECTRIC DEVICE COMPRISING SAME DCX, HCN3, CDH1 KDM4E 1555/4885NQO2 2060/4885EGFR 4330/4885

“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.