Cyclandelate

Cyclandelate

SCHEMBL8060819

CC1CC(OC(=O)[C@H](O)c2ccccc2)CC(C)(C)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 1.00
NR1I2 O75469 1/20 1.00
ABCB11 O95342 1/20 1.00
CYP2D6 P10635 3/20 0.65
CYP2C9 P11712 4/20 0.57
CYP3A4 P08684 2/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C19 P33261 1/20 0.57
HSD17B10 Q99714 2/20 0.55
CHRM2 P08172 8/20 0.54
CHRM1 P11229 7/20 0.54
CHRM3 P20309 7/20 0.54
CHRM5 P08912 6/20 0.54
CHRM4 P08173 5/20 0.54
BLM P54132 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
KMT2A Q03164 4/20 0.43
PABPC1 P11940 1/20 0.40

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
Cyclandelate SCHEMBL5123 1.00 LMNA (1.00) LMNANR1I2ABCB11CYP2D6CYP2C9
Cyclandelate SCHEMBL547043 1.00 LMNA (1.00) LMNANR1I2ABCB11CYP2D6CYP2C9
Cyclandelate SCHEMBL9705893 0.86 LMNA (0.74) LMNANR1I2ABCB11CYP2D6CYP2C9
Cyclandelate SCHEMBL9705887 0.84 LMNA (0.70) LMNANR1I2ABCB11CYP2D6CYP2C9
Eucatropine SCHEMBL132347 0.79 CYP2D6 (1.00) LMNANR1I2ABCB11CYP2D6CYP2C9
SCHEMBL13894203 0.78 LMNA (0.71) LMNANR1I2ABCB11CYP2C9CYP3A4
Eucatropine SCHEMBL636552 0.78 LMNA (1.00) LMNANR1I2ABCB11CYP2D6CYP2C9
SCHEMBL6908933 0.77 ALDH1A1 (0.84) LMNANR1I2ABCB11CYP2D6CYP2C9
SCHEMBL3846512 0.77 ALDH1A1 (0.84) LMNANR1I2ABCB11CYP2D6CYP2C9
SCHEMBL3846508 0.77 ALDH1A1 (0.84) LMNANR1I2ABCB11CYP2D6CYP2C9

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54081240-A None JP disclosed
JP-61068407-A None JP disclosed
US-12085452-B2 Temperature detection ink, temperature detection ink initialization method, temperature indicator, and article management system HITACHI INDUSTRIAL EQUIPMENT SYSTEMS CO., LTD. (JP) 2024-09-10 US disclosed
EP-3745106-B1 TEMPERATURE DETECTION INK, TEMPERATURE DETECTION INK INITIALIZATION METHOD, TEMPERATURE INDICATOR, AND ARTICLE MANAGEMENT SYSTEM HITACHI INDUSTRY EQUIPMENT SYSTEMS CO LTD (JP) 2023-10-25 EP disclosed
US-20210063252-A1 Temperature Detection Ink, Temperature Detection Ink Initialization Method, Temperature Indicator, and Article Management System HITACHI INDUSTRIAL EQUIPMENT SYSTEMS CO., LTD. (JP) 2021-03-04 US disclosed
EP-3745106-A1 TEMPERATURE DETECTION INK, TEMPERATURE DETECTION INK INITIALIZATION METHOD, TEMPERATURE INDICATOR, AND ARTICLE MANAGEMENT SYSTEM HITACHI INDUSTRIAL EQUIPMENT SYSTEMS CO., LTD. (JP) 2020-12-02 EP disclosed
EP-3614112-A1 TEMPERATURE EVALUATION SYSTEM, AND ARTICLE MANAGEMENT SYSTEM IN WHICH SAME IS USED Hitachi, Ltd. (JP) 2020-02-26 EP disclosed
US-6057359-A NEW ESTERS OF BACCATIN-III, 10-DEACETYLBACCATIN-III AND 14-OH-10-DEACETYLBACCATIN-III USED FOR THE TREATMENT OF ECZEMA, PSORIASIS AND METABOLIC DISORDERS MARIGEN S.A. (CH) 2000-05-02 US disclosed
US-5593691-A DIESTERS AND UNSATURATED DIESTERS WITH COSMETICS, DRUGS AND TENSIDES MARIGEN S.A. (CH) 1997-01-14 US disclosed
EP-0157151-B1 NEW PROCESS FOR PREPARING CIS-3,3,5-TRIMETHYLCYCLOHEXYL-D,L-ALPHA-(3-PYRIDINECARBOXY)-PHENYLACETATE RAVIZZA S.p.A. (IT) 1988-07-13 EP disclosed
US-RE32393-E STABLE, OIL IN WATER EMULSION KABIVITRUM AB (SE) 1987-04-07 US disclosed
JP-S6168407-A HAIR TONIC TAKEDA CHEM IND LTD 1986-04-08 JP disclosed
EP-0157151-A1 New process for preparing cis-3,3,5-trimethylcyclohexyl-D,L-alpha-(3-pyridinecarboxy)-phenylacetate RAVIZZA S.p.A. (IT) 1985-10-09 EP disclosed
US-4168308-A Composition for enhancing the administration of pharmacologically active agents APOTEKSVARUCENTRALEN VITRUM AB (SE) 1979-09-18 US disclosed
JP-S5481240-A PRODUCTION OF 3,3,5-TRIMETHYLCYCLOHEXYL MANDELATE KYOWA HAKKO KOGYO CO LTD 1979-06-28 JP disclosed
US-4073943-A Method of enhancing the administration of pharmalogically active agents APOTEKSVARUCENTRALEN VITRUM AB (SW) 1978-02-14 US disclosed