SCHEMBL5045112

SCHEMBL5045112

COc1cc2c(cc1OC)CCC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
CYP3A4 P08684 1/20 0.62
KDM4E B2RXH2 4/20 0.54
MAOA P21397 4/20 0.54
CHRNA7 P36544 2/20 0.54
MAOB P27338 2/20 0.54
SLC6A4 P31645 1/20 0.54
DRD1 P21728 2/20 0.49
DRD4 P21917 2/20 0.49
DRD5 P21918 2/20 0.49
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDE4D Q08499 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP19A1 P11511 1/20 0.46

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
SCHEMBL59900 0.94 MAPT (0.62) MAPTCYP3A4KDM4EMAOACHRNA7
SCHEMBL14481557 0.88 MAPT (0.68) MAPTCYP3A4KDM4EMAOACHRNA7
SCHEMBL29924708 0.88 MAPT (0.68) MAPTCYP3A4KDM4EMAOACHRNA7
SCHEMBL2594537 0.88 MAPT (0.68) MAPTCYP3A4KDM4EMAOACHRNA7
SCHEMBL361694 0.85 MAPT (0.46) MAPTCYP3A4KDM4EMAOACHRNA7
SCHEMBL23674495 0.84 CYP3A4 (0.44) MAPTCYP3A4KDM4EMAOACHRNA7
SCHEMBL1506609 0.84 HTR2A (0.47) MAPTCYP3A4KDM4EMAOACHRNA7
SCHEMBL20231622 0.84 L3MBTL1 (0.48) MAPTCYP3A4KDM4EMAOACHRNA7
SCHEMBL10157987 0.84 HTR2C (0.47) MAPTCYP3A4KDM4EMAOACHRNA7
SCHEMBL6313527 0.84 MAPT (0.44) MAPTCYP3A4KDM4EMAOACHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115337913-B Catechu [9] arene, and preparation method and application thereof 浙江大学杭州国际科创中心 2024-03-22 CN claimed
CN-115337913-A Catechu [9] arene and preparation method and application thereof 浙江大学杭州国际科创中心 2022-11-15 CN claimed
CN-102908149-A Fingerprint showing spray and method for showing fingerprint by using same WU SHIYU 2013-02-06 CN claimed
CN-115337913-B Catechu [9] arene, and preparation method and application thereof 浙江大学杭州国际科创中心 2024-03-22 CN disclosed
CN-115337913-B Catechu [9] arene, and preparation method and application thereof 浙江大学杭州国际科创中心 2024-03-22 CN disclosed
CN-117229244-A Orange ketone analogue and application thereof 中国科学院新疆理化技术研究所 2023-12-15 CN disclosed
CN-115677635-A Aurone derivative and application thereof 中国科学院新疆理化技术研究所 2023-02-03 CN disclosed
CN-115337913-A Catechu [9] arene and preparation method and application thereof 浙江大学杭州国际科创中心 2022-11-15 CN disclosed
CN-115337913-A Catechu [9] arene and preparation method and application thereof 浙江大学杭州国际科创中心 2022-11-15 CN disclosed
US-10961396-B2 Methine dyes LANXESS DEUTSCHLAND GMBH (DE) 2021-03-30 US disclosed
US-20190112485-A1 NOVEL METHINE DYES LANXESS DEUTSCHLAND GMBH (DE) 2019-04-18 US disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 EP disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 WO disclosed
US-6482989-B2 Method for oxidizing alkanes and cycloalkanes with aldehydes in the presence of copper-based catalysts and nitrogen-containing compounds OSAKA UNIVERSITY (JP) 2002-11-19 US disclosed
US-20020045778-A1 Method for oxidizing alkanes and cycloalkanes with aldehydes in the presence of copper-based catalysts and nitrogen-containing compounds OSAKA UNIVERSITY (JP) 2002-04-18 US disclosed
EP-1174410-A2 Method for oxidizing alkanes and cycloalkanes with oxygen in the presence of aldehydes, copper-based catalysts and nitrogen-containing compounds OSAKA UNIVERSITY (JP) 2002-01-23 EP disclosed
CN-1156443-A Benzocycloalkene compound, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-08-06 CN disclosed
EP-0534859-A1 Benzocyclobutyl- or indanyl-alkyl-amino-alkyl substituted 3-benzazepin-2-ones useful in the treatment of cardiovascular diseases ADIR ET COMPAGNIE (FR) 1993-03-31 EP disclosed
US-4521607-A HYPOTENSIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-06-04 US disclosed
EP-0035868-A1 Bicyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-09-16 EP 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-20190112485-A1 NOVEL METHINE DYES TET1, TET3, PRMT5 MAPT 465/4885CYP3A4 907/4885KDM4E 173/4885
US-10961396-B2 Methine dyes PNMT, TET1, PRMT5 MAPT 405/4885CYP3A4 643/4885KDM4E 180/4885

“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.