SCHEMBL2818804

SCHEMBL2818804

CC(C)(O)CCCC(C)(C)O

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.69
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
KMT2A Q03164 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
CA2 P00918 2/20 0.33

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
SCHEMBL1269985 0.92 ALDH1A1 (0.69) ALDH1A1MEN1POLBAPEX1KMT2A
SCHEMBL7602370 0.89 ALDH1A1 (0.56) ALDH1A1MEN1POLBAPEX1KMT2A
SCHEMBL2945318 0.88 ALDH1A1 (0.64) ALDH1A1
SCHEMBL5915749 0.88 ALDH1A1 (0.64) ALDH1A1
SCHEMBL3040312 0.88 ALDH1A1 (0.64) ALDH1A1
SCHEMBL2943010 0.88 ALDH1A1 (0.64) ALDH1A1
SCHEMBL28719229 0.84 ALDH1A1 (0.50) ALDH1A1MEN1POLBAPEX1KMT2A
SCHEMBL18102366 0.84 ALDH1A1 (0.50) ALDH1A1MEN1POLBAPEX1KMT2A
SCHEMBL37987 0.82 ALDH1A1 (1.00) ALDH1A1CA2
SCHEMBL51789 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539504-B High-fluidity pipeline heat-insulating material and preparation method thereof 万华化学集团股份有限公司 2023-05-26 CN claimed
CN-114539504-A High-fluidity pipeline thermal insulation material and preparation method thereof 万华化学集团股份有限公司 2022-05-27 CN claimed
CN-109180843-B Non-phthalate compounds as electron donors for polyolefin catalysts 美国台塑公司 2022-03-01 CN claimed
CN-110964175-A Glass-like polyurethane elastomer based on carbamic acid tert-alcohol ester exchange, preparation method and application 武汉科技大学 2020-04-07 CN claimed
EP-1472293-B1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2017-04-26 EP claimed
EP-0509034-A1 HOMOGENEOUS RHENIUM CATALYSTS FOR METATHESIS OF OLEFINS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1992-10-21 EP claimed
US-5146033-A Homogeneous rhenium catalysts for metathesis of olefins MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1992-09-08 US claimed
US-5087710-A HOMOGENEOUS RHENIUM CATALYSTS FOR METATHESIS OF OLEFINS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1992-02-11 US claimed
WO-1991009825-A1 HOMOGENEOUS RHENIUM CATALYSTS FOR METATHESIS OF OLEFINS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1991-07-11 WO claimed
CN-114539504-B High-fluidity pipeline heat-insulating material and preparation method thereof 万华化学集团股份有限公司 2023-05-26 CN disclosed
US-20220220100-A1 PHOTOCHROMIC AND ELECTROCHROMIC DIARYLETHENE COMPOUNDS WITH IMPROVED PHOTOSTABILITY AND SOLUBILITY SWITCH MATERIALS INC. (CA) 2022-07-14 US disclosed
CN-114539504-A High-fluidity pipeline thermal insulation material and preparation method thereof 万华化学集团股份有限公司 2022-05-27 CN disclosed
CN-113444425-B Water-based epoxy fireproof coating and preparation method and application thereof 海洋化工研究院有限公司 2022-03-22 CN disclosed
CN-114163363-A Aralkyl diene sulfonate ionic membrane compound capable of being densely crosslinked 上海漫关越水处理有限公司 2022-03-11 CN disclosed
EP-0901043-A1 Radiation-sensitive resin composition JSR Corporation (JP) 1999-03-10 EP disclosed
US-5446102-A Decreasing molecular weight of unsaturated polymers BRIDGESTON, CORPORATION (JP) 1995-08-29 US disclosed
EP-0509034-A1 HOMOGENEOUS RHENIUM CATALYSTS FOR METATHESIS OF OLEFINS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1992-10-21 EP disclosed
US-5146033-A Homogeneous rhenium catalysts for metathesis of olefins MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1992-09-08 US disclosed
US-5087710-A HOMOGENEOUS RHENIUM CATALYSTS FOR METATHESIS OF OLEFINS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1992-02-11 US disclosed
WO-1991009825-A1 HOMOGENEOUS RHENIUM CATALYSTS FOR METATHESIS OF OLEFINS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1991-07-11 WO 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-20220220100-A1 PHOTOCHROMIC AND ELECTROCHROMIC DIARYLETHENE COMPOUNDS WITH IMPROVED PHOTOSTABILITY AND SOLUBILITY CYP1B1, POR, CYP4B1 ALDH1A1 349/4885MEN1 3855/4885POLB 2785/4885

“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.