SCHEMBL930707

SCHEMBL930707

CCOC1CCCCC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA4 P22748 2/20 0.45
KMT2A Q03164 3/20 0.43
CYP2D6 P10635 1/20 0.41
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAOA P21397 2/20 0.36
CA6 P23280 1/20 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
SCHEMBL30809938 0.94
SCHEMBL4118123 0.94
SCHEMBL28367600 0.85
SCHEMBL10215418 0.84 CA1 (0.42) CA1CA2CA4KMT2ACYP2D6
SCHEMBL11669744 0.81 POLB (0.40) CA1CA2CA4KMT2APOLB
SCHEMBL3660203 0.80 AKR1C3 (0.33) CA1CA2CA4KMT2ACYP2D6
SCHEMBL9363608 0.79 CA1 (0.41) CA1CA2CA4KMT2APOLB
SCHEMBL9419269 0.78 CA1 (0.37) CA1CA2CA4KMT2APOLB
SCHEMBL1148735 0.78 CA1 (0.37) CA1CA2CA4KMT2APOLB
SCHEMBL1134551 0.78 CA1 (0.39) CA1CA2CA4KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113058644-B Catalyst for catalyzing oxidative dehydrogenation and hydrogenation of organic compounds and application thereof 山东大学 2022-08-26 CN claimed
CN-113058644-A Catalyst for catalyzing oxidative dehydrogenation and hydrogenation of organic compounds and application thereof 山东大学 2021-07-02 CN claimed
US-20060167281-A1 1,2,4- Trioxepanes as precursors for lactones AKZO NOBEL N.V. (NL) 2006-07-27 US claimed
US-RE29201-E Production of alkoxy phenolic compounds CPC INTERNATIONAL INC. (US) 1977-05-03 US claimed
US-RE29200-E Production of alkoxy phenolic compounds CPC INTERNATIONAL INC. (US) 1977-05-03 US claimed
US-3992452-A Method for the production of alkoxycyclohexanones CPC INTERNATIONAL INC. (US) 1976-11-16 US claimed
US-11884632-B2 Preparation method of caprolactam Zhejiang Hengyi Petrochemical Research Institute Co., Ltd. (CN) 2024-01-30 US disclosed
CN-113058644-B Catalyst for catalyzing oxidative dehydrogenation and hydrogenation of organic compounds and application thereof 山东大学 2022-08-26 CN disclosed
US-20220064124-A1 PREPARATION METHOD OF CAPROLACTAM ZHEJIANG HENGLAN SCIENCE & TECHNOLOGY CO., LTD. (CN) 2022-03-03 US disclosed
CN-113058644-A Catalyst for catalyzing oxidative dehydrogenation and hydrogenation of organic compounds and application thereof 山东大学 2021-07-02 CN disclosed
US-10991645-B2 Wiring substrate SHINKO ELECTRIC INDUSTRIES CO., LTD. (JP) 2021-04-27 US disclosed
CN-112142670-A Preparation method of caprolactam 浙江恒澜科技有限公司 2020-12-29 CN disclosed
CN-112079759-A Caprolactam production device and production method 浙江恒澜科技有限公司 2020-12-15 CN disclosed
WO-1999016619-A1 IMINE-CONTAINING CURATIVE FOR TWO COMPONENT POLYURETHANE STRUCTURAL ADHESIVES ASHLAND INC. (US) 1999-04-08 WO disclosed
US-5753715-A 2-disubstituted cyclohexenyl and cyclohexyl antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-05-19 US disclosed
WO-1997048675-A1 2-DISUBSTITUTED CYCLOHEXENYL AND CYCLOHEXYL ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-24 WO disclosed
US-4663474-A Synthetic intermediates for a chiral 3-(substituted-phenyl)-4-(3-hydroxypropyl) cyclohexanol PFIZER INC. (US) 1987-05-05 US disclosed
US-RE29201-E Production of alkoxy phenolic compounds CPC INTERNATIONAL INC. (US) 1977-05-03 US disclosed
US-RE29200-E Production of alkoxy phenolic compounds CPC INTERNATIONAL INC. (US) 1977-05-03 US disclosed
US-3992452-A Method for the production of alkoxycyclohexanones CPC INTERNATIONAL INC. (US) 1976-11-16 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 (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-20060167281-A1 1,2,4- Trioxepanes as precursors for lactones CYP4X1, LSS, RIOX2 CA1 312/4885CA2 1822/4885CA4 183/4885

“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.