SCHEMBL891188

SCHEMBL891188

CCC(C)C(=O)OCCC(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PKM P14618 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC22A1 O15245 1/20 0.37
PPARG P37231 1/20 0.36
LMNA P02545 1/20 0.36
CHRNB2 P17787 3/20 0.35
CHRNA4 P43681 3/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35

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
SCHEMBL8954891 1.00 CA12 (0.43) CA12CA1CA2CA9CYP19A1
SCHEMBL28956590 0.92 CA12 (0.38) CA12CA1CA2CA9CYP19A1
SCHEMBL28235723 0.90 CYP19A1 (0.41) CA12CA1CA2CA9CYP19A1
SCHEMBL13667079 0.85 ALDH1A1 (0.37) CA1CA2ALDH1A1GAAHSD17B10
SCHEMBL7218963 0.85 BLM (0.38) CA1CA2ALDH1A1LMNA
SCHEMBL7219101 0.84 CA12 (0.42) CA12CA1CA2CA9CYP19A1
SCHEMBL10044202 0.84 TSHR (0.38) CA1CA2CYP19A1ALDH1A1HSD17B10
SCHEMBL7218815 0.84 CA2 (0.45) CA12CA1CA2CA9CYP19A1
SCHEMBL7223093 0.84 NAAA (0.38)
SCHEMBL7224119 0.84 NAAA (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115785344-B Weak acid base material with low dissolution in water sample and application thereof 佛山市云米电器科技有限公司 2025-03-07 CN claimed
CN-117897055-A Method for reducing abnormal odor 奇华顿股份有限公司 2024-04-16 CN claimed
CN-115785344-A Weak acid base material with low dissolution in water sample and application thereof 佛山市云米电器科技有限公司 2023-03-14 CN claimed
CN-110554115-B Method for measuring volatile components in tobacco shreds based on SBSE-TD-GC-MS 云南中烟工业有限责任公司 2022-04-01 CN claimed
CN-113558280-A Electronic cigarette liquid and atomization device containing same 深圳芳芯科技有限公司 2021-10-29 CN claimed
EP-3809876-A1 PROTECTIVE AGENT FOR FOOD PRODUCTS AND THE LIKE AND FOR CURING AND/OR STORAGE ROOMS OF THE SAME PERPRIN S.R.L. (IT) 2021-04-28 EP claimed
CN-112625797-A Preparation method of essence combination of olfactory recognition book suitable for Chinese population 爱普香料集团股份有限公司 2021-04-09 CN claimed
WO-2021046924-A1 FLAVOR COMPOSITION AND E-LIQUID COMPRISING FLAVOR COMPOSITION 深圳雾芯科技有限公司 2021-03-18 WO claimed
CN-108047385-B Reactive pressure-sensitive resin and preparation method thereof 中国科学院深圳先进技术研究院 2020-07-24 CN claimed
WO-2019243869-A1 PROTECTIVE AGENT FOR FOOD PRODUCTS AND THE LIKE AND FOR CURING AND/OR STORAGE ROOMS OF THE SAME PERPRIN S.R.L. (IT) 2019-12-26 WO claimed
EP-1716159-B1 BICYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS MOMENTIVE PERFORMANCE MAT INC (US) 2011-07-13 EP claimed
US-7579495-B2 Active-releasing cyclic siloxanes MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2009-08-25 US claimed
US-7576170-B2 Cyclic siloxane compositions for the release of active ingredients MOMENTIVE PERFORMANCE MATERIALS (US) 2009-08-18 US claimed
EP-1697386-B1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GEN ELECTRIC (US) 2007-10-10 EP claimed
EP-1716159-A2 CYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS General Electronic Company (US) 2006-11-02 EP claimed
EP-1697386-A1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES General Electric Company A Corporation of the State of New York (US) 2006-09-06 EP claimed
WO-2005066187-A1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GENERAL ELECTRIC COMPANY (US) 2005-07-21 WO claimed
WO-2005066186-A2 CYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS GENERAL ELECTRIC COMPANY (US) 2005-07-21 WO claimed
US-20050136021-A1 Active-releasing cyclic siloxanes MOMENTIVE PERFORMANCE MATERIALS INC. 2005-06-23 US claimed
US-20050136022-A1 Cyclic siloxane compositions for the release of active ingredients MOMENTIVE PERFORMANCE MATERIALS INC. 2005-06-23 US claimed

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-20050136022-A1 Cyclic siloxane compositions for the release of active ingredients F9, RPL39, ECPAS CA12 2980/4885CA1 2172/4885CA2 3862/4885
US-20050136021-A1 Active-releasing cyclic siloxanes F9, RPL39, ALDH16A1 CA12 2608/4885CA1 1581/4885CA2 3440/4885

“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.