SCHEMBL4337964

SCHEMBL4337964

CC1(C)CCCC(C)(O)C1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 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
SCHEMBL10089210 1.00 SLC6A4 (0.33) SLC6A4SLC6A3
SCHEMBL5868545 0.84 SLC6A4 (0.35) SLC6A4SLC6A3
SCHEMBL13069780 0.81
SCHEMBL286847 0.77
SCHEMBL9064747 0.77
SCHEMBL27439110 0.77
SCHEMBL13515554 0.77
SCHEMBL25910376 0.77 SLC6A4 (0.33) SLC6A4SLC6A3
SCHEMBL2776656 0.74 SLC6A4 (0.32) SLC6A4SLC6A3
SCHEMBL17490376 0.74 SLC6A4 (0.32) SLC6A4SLC6A3

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
US-7560598-B2 reacting a saturated, tertiary terpene alcohol with hypochloric acid under conditions effective to produce at least one oxidation product selected from the group consisting of cyclic ethers, chloroketones, and mixtures thereof MILLENNIUM SPECIALTY CHEMICALS, INC. (US) 2009-07-14 US claimed
US-20070238629-A1 Fragrance compositions from tertiary terpene alcohols RENESSENZ LLC 2007-10-11 US claimed
EP-0638591-B1 Copolymers containing hydroxyl groups, their preparation and their use in high solids coatings HOECHST AG (DE) 1998-01-28 EP claimed
CN-112574015-B Method for preparing cyclocitral from C10 unsaturated aldehyde rectifying tower bottoms 万华化学集团股份有限公司 2022-09-20 CN disclosed
EP-3174877-B1 INDOLIZINE DERIVATIVES WHICH ARE APPLICABLE TO NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2022-06-29 EP disclosed
US-10889901-B2 Ultraviolet-stabilized corrosion inhibitors INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2021-01-12 US disclosed
US-20200032401-A1 ULTRAVIOLET-STABILIZED CORROSION INHIBITORS INTERNATIONAL BUSINESS MACHINES CORPORATION 2020-01-30 US disclosed
US-9809521-B2 Cannabidinoid derivatives SUTTER WEST BAY HOSPITALS (US) 2017-11-07 US disclosed
US-20170079965-A1 NOVEL INDOLIZINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2017-03-23 US disclosed
US-9546166-B2 Indolizine derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2017-01-17 US disclosed
WO-2016019228-A1 INDOLIZINE DERIVATIVES WHICH ARE APPLICABLE TO NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-02-04 WO disclosed
US-20070238629-A1 Fragrance compositions from tertiary terpene alcohols RENESSENZ LLC 2007-10-11 US disclosed
US-20070238629-A1 Fragrance compositions from tertiary terpene alcohols RENESSENZ LLC 2007-10-11 US disclosed
US-20070238629-A1 Fragrance compositions from tertiary terpene alcohols RENESSENZ LLC 2007-10-11 US disclosed
US-7179800-B2 Such as 2-(3-methylcyclohexyl)-5-(1,1'-dimethylheptyl)-resorcinol for treatment of pain, inflammation and autoimmune disease VIRGINIA COMMONWEALTH UNIVERSITY (US) 2007-02-20 US disclosed
US-7179800-B2 Such as 2-(3-methylcyclohexyl)-5-(1,1'-dimethylheptyl)-resorcinol for treatment of pain, inflammation and autoimmune disease VIRGINIA COMMONWEALTH UNIVERSITY (US) 2007-02-20 US disclosed
US-20070037890-A1 Such as 2-(3-methylcyclohexyl)-5-(1,1'-dimethylheptyl)-resorcinol for treatment of pain, inflammation and autoimmune disease VIRGINIA COMMONWEALTH UNIVERSITY (US) 2007-02-15 US disclosed
US-20070037890-A1 Such as 2-(3-methylcyclohexyl)-5-(1,1'-dimethylheptyl)-resorcinol for treatment of pain, inflammation and autoimmune disease VIRGINIA COMMONWEALTH UNIVERSITY (US) 2007-02-15 US disclosed
WO-2006119504-A2 FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2006-11-09 WO disclosed
US-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction RENOVIS, INC. 2006-09-28 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 (5 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-10889901-B2 Ultraviolet-stabilized corrosion inhibitors TYR, UNG, MGMT SLC6A4 2846/4885SLC6A3 3385/4885
US-20200032401-A1 ULTRAVIOLET-STABILIZED CORROSION INHIBITORS TYR, UNG, MGMT SLC6A4 2846/4885SLC6A3 3385/4885
US-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction PARK7, UACA, PTGER4 SLC6A4 4573/4885SLC6A3 4318/4885
US-20170079965-A1 NOVEL INDOLIZINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX5, P2RX4, P2RX3 SLC6A4 108/4885SLC6A3 171/4885
US-20070037890-A1 Such as 2-(3-methylcyclohexyl)-5-(1,1'-dimethylheptyl)-resorcinol for treatment of pain, inflammation and autoimmune disease CNR1, CNR2, HRH4 SLC6A4 2648/4885SLC6A3 2760/4885

“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.