SCHEMBL198083

SCHEMBL198083

O=C(OC1CCCCC1)[C@H](O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.62
CYP2D6 P10635 5/20 0.62
CYP2C9 P11712 2/20 0.62
HSD17B10 Q99714 2/20 0.62
CHRM2 P08172 4/20 0.61
CHRM1 P11229 4/20 0.61
CHRM3 P20309 4/20 0.61
CHRM4 P08173 3/20 0.61
CHRM5 P08912 3/20 0.61
BLM P54132 3/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
NR1I2 O75469 1/20 0.55
ABCB11 O95342 1/20 0.55
THRB P10828 2/20 0.50
PMP22 Q01453 2/20 0.50
CYP1A2 P05177 2/20 0.50
MEN1 O00255 1/20 0.50
MTOR P42345 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL7274518 1.00 LMNA (0.62) LMNACYP2D6CYP2C9HSD17B10CHRM2
SCHEMBL198313 1.00 LMNA (0.62) LMNACYP2D6CYP2C9HSD17B10CHRM2
Hydrochloric Acid SCHEMBL7268076 0.98 LMNA (0.61) LMNACYP2D6CYP2C9HSD17B10CHRM2
SCHEMBL3916189 0.98 LMNA (0.64) LMNACYP2D6CYP2C9HSD17B10CHRM2
SCHEMBL2062723 0.98 LMNA (0.64) LMNACYP2D6CYP2C9HSD17B10CHRM2
SCHEMBL415802 0.98 LMNA (0.64) LMNACYP2D6CYP2C9HSD17B10CHRM2
Hydrochloric Acid SCHEMBL8987487 0.97 LMNA (0.59) LMNACYP2D6CYP2C9HSD17B10CHRM2
Iodide SCHEMBL16713395 0.97 LMNA (0.62) LMNACYP2D6CYP2C9HSD17B10CHRM2
Hydrochloric Acid SCHEMBL7269400 0.97 LMNA (0.62) LMNACYP2D6CYP2C9HSD17B10CHRM2
SCHEMBL19105458 0.85 CYP2D6 (0.51) LMNACYP2D6CYP2C9HSD17B10CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP claimed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO claimed
CN-114805100-A Preparation method of oxybutynin hydrochloride 南京亿华药业有限公司 2022-07-29 CN disclosed
US-10449173-B2 Method for treating overactive bladders and a device for storage and administration of topical oxybutynin compositions ALLERGAN SALES, LLC (US) 2019-10-22 US disclosed
EP-3287122-B1 DEVICE FOR STORAGE AND ADMINISTRATION OF TOPICAL OXYBUTYNIN COMPOSITIONS FOR TREATING OVERACTIVE BLADDERS. ALLERGAN SALES LLC (US) 2019-04-17 EP disclosed
CN-109553705-A A kind of catalytic component and preparation method thereof for olefinic polymerization 中国石油化工股份有限公司 2019-04-02 CN disclosed
CN-109553712-A A kind of catalytic component and its catalyst for olefinic polymerization 中国石油化工股份有限公司 2019-04-02 CN disclosed
CN-109553704-A A kind of catalytic component, catalyst and application for olefinic polymerization 中国石油化工股份有限公司 2019-04-02 CN disclosed
EP-3287122-A1 A METHOD FOR TREATING OVERACTIVE BLADDERS AND A DEVICE FOR STORAGE AND ADMINISTRATION OF TOPICAL OXYBUTYNIN COMPOSITIONS Allergan Sales, LLC (US) 2018-02-28 EP disclosed
US-9828594-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2017-11-28 US disclosed
EP-2427172-B1 A METHOD FOR TREATING OVERACTIVE BLADDERS AND A DEVICE FOR STORAGE AND ADMINISTRATION OF TOPICAL OXYBUTYNIN COMPOSITIONS ALLERGAN SALES LLC (US) 2017-11-01 EP disclosed
WO-2003000840-A2 NITRILASES DIVERSA CORPORATION (US) 2003-01-03 WO disclosed
US-20020173536-A1 Enantiomerically pure basic arylcycloalkylhydroxycarboxylic esters, processes for their preparation and their use in medicaments CHRISTIAN NOE AND ERNST MUTSCHLER 2002-11-21 US disclosed
EP-1242589-A2 METHODS FOR PRODUCING ENANTIOMERICALLY PURE ALPHA-SUBSTITUTED CARBOXYLIC ACIDS DIVERSA CORPORATION (US) 2002-09-25 EP disclosed
US-6307060-B1 ANTISPASMODIC AGENTS Noe, Christian 2001-10-23 US disclosed
WO-2001048175-A2 METHODS FOR PRODUCING ENANTIOMERICALLY PURE α-SUBSTITUTED CARBOXYLIC ACIDS DIVERSA CORPORATION (US) 2001-07-05 WO disclosed
US-6231885-B1 CONTROLLED RELEASE MONOLITHIC PATCH FOR TRANSDERMAL ADMINISTERING OF DRUGS PERMATEC TECHNOLOGIE AG (CH) 2001-05-15 US disclosed
EP-0913158-A1 Transdermal patch comprising a combination of two or more fatty acids or alcohols as permeation enhancers PERMATEC TECHNOLOGIE AG (CH) 1999-05-06 EP disclosed
US-5294737-A Hydrolysis, cyclization, condensation THE RESEARCH FOUNDATION STATE UNIVERSITY OF NEW YORK (US) 1994-03-15 US disclosed
US-5036107-A Treatment of neurogenic bladder disorders MARION MERRELL DOW INC. (US) 1991-07-30 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-20020173536-A1 Enantiomerically pure basic arylcycloalkylhydroxycarboxylic esters, processes for their preparation and their use in medicaments CYP2A13, CYP3A43, HCAR2 LMNA 1524/4885CYP2D6 12/4885CYP2C9 21/4885

“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.