SCHEMBL5663990

SCHEMBL5663990

COC(=O)c1cccc(CCCO)c1

nearest known ligand 0.91

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP4A11 Q02928 5/20 0.91
▸ CYP4F2 P78329 4/20 0.91
▸ LOXL2 Q9Y4K0 1/20 0.64
▸ SLC7A5 Q01650 1/20 0.55
▸ DHODH Q02127 2/20 0.55
▸ MRGPRX4 Q96LA9 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ FOLH1 Q04609 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HIF1A Q16665 1/20 0.49
▸ PARP1 P09874 1/20 0.48
▸ TSHR P16473 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
SCHEMBL18540811 0.95 CYP4A11 (1.00) CYP4A11CYP4F2LOXL2SLC7A5DHODH
SCHEMBL31752933 0.94 CYP4A11 (0.97) CYP4A11CYP4F2LOXL2SLC7A5DHODH
SCHEMBL46931 0.90 CYP4A11 (1.00) CYP4A11CYP4F2LOXL2SLC7A5DHODH
SCHEMBL70173 0.88 CYP4F2 (0.83) CYP4A11CYP4F2LOXL2SLC7A5DHODH
SCHEMBL10606812 0.87 CYP4A11 (0.75) CYP4A11CYP4F2LOXL2SLC7A5DHODH
SCHEMBL1792728 0.87 CYP4A11 (0.75) CYP4A11CYP4F2LOXL2SLC7A5DHODH
SCHEMBL19078986 0.86 CYP4A11 (0.78) CYP4A11CYP4F2LOXL2SLC7A5DHODH
SCHEMBL6614812 0.86 CYP4A11 (0.73) CYP4A11CYP4F2LOXL2SLC7A5DHODH
SCHEMBL8921794 0.86 CYP4A11 (0.73) CYP4A11CYP4F2LOXL2SLC7A5DHODH
SCHEMBL5725416 0.86 CYP4A11 (0.73) CYP4A11CYP4F2LOXL2SLC7A5DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3727355-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER AstraZeneca AB (SE) 2020-10-28 — — EP disclosed
WO-2020162612-A1 PYRIDINE COMPOUND SUBSTITUTED BY HETEROARYL 大正製薬株式会社 2020-08-13 — — WO disclosed
WO-2020162612-A1 PYRIDINE COMPOUND SUBSTITUTED BY HETEROARYL 大正製薬株式会社 2020-08-13 — — WO disclosed
CN-111491623-A Compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2020-08-04 — — CN disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 — — US disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 — — US disclosed
CN-100354264-C 5-substituted isoquinoline derivatives and drugs containing them ASAHI KASEI PHARMA CORP (JP) 2007-12-12 — — CN disclosed
US-7094789-B2 5-substituted isoquinoline derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2006-08-22 — — US disclosed
CN-1668600-A 5-substituted isoquinoline derivatives ASAHI KASEI PHARMA CORP (JP) 2005-09-14 — — CN disclosed
EP-1541559-A1 5-SUBSTITUTED ISOQUINOLINE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2005-06-15 — — EP disclosed
US-20050020623-A1 5-Substituted isoquinoline derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-27 — — US disclosed
EP-0235452-B1 ORGANIC COMPOUNDS AND THEIR PHARMACEUTICAL USE LILLY INDUSTRIES LIMITED (GB) 1992-03-18 — — EP disclosed
EP-0162208-B1 NOVEL N-SUBSTITUTED 3,4-DIHYDROPYRIMIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) 1989-11-23 — — EP disclosed
US-4845110-A Organic compounds and their pharmaceutical use LILLY INDUSTRIES LIMITED (GB) 1989-07-04 — — US disclosed
EP-0235452-A2 Organic compounds and their pharmaceutical use LILLY INDUSTRIES LIMITED (GB) 1987-09-09 — — EP disclosed
US-4683234-A HYPOTENSIVE AGENTS, ANTI-ANGINA SUNTORY LIMITED (JP) 1987-07-28 — — US disclosed
EP-0162208-A2 Novel N-substituted 3,4-dihydropyrimidine derivatives, processes for preparing them and pharmaceutical compositions SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) 1985-11-27 — — 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-20050020623-A1 5-Substituted isoquinoline derivatives MYLK, MYLK2, MYL12A CYP4A11 3545/4885CYP4F2 4148/4885LOXL2 2022/4885
US-20190194190-A1 Compounds and Their Use in Treating Cancer F12, CCNY, CCNE1 CYP4A11 355/4885CYP4F2 107/4885LOXL2 2994/4885

“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.

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