SCHEMBL25334

SCHEMBL25334

CCC(C)c1cc[c]cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TSHR P16473 3/20 0.40
CYP2C9 P11712 2/20 0.40
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
USP2 O75604 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.36
TRPA1 O75762 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 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
SCHEMBL5461974 0.81 RIPK1 (0.36) TRPA1SMN1; SMN2TAAR1
SCHEMBL598140 0.81 ALDH1A1 (0.52) ALDH1A1TSHRCYP2C9GAAHPGD
SCHEMBL1028273 0.78 AOC3 (0.34) TAAR1
SCHEMBL1029392 0.78 AOC3 (0.34) TAAR1
SCHEMBL7302373 0.78 TAAR1 (0.33) TAAR1
SCHEMBL2448821 0.78 TRPA1 (0.38) TRPA1TAAR1
SCHEMBL23983 0.78 AOC3 (0.34) TAAR1
SCHEMBL3649949 0.78 TRPA1 (0.42) TSHRTRPA1TAAR1
SCHEMBL6487836 0.78 TAAR1 (0.33) TAAR1
SCHEMBL2487445 0.78 RIPK1 (0.34) TSHRTAAR1

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

Appears in 3130 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216900-A1 SABRE CATALYSTS CONTAINING FLUORINATED CARBON CHAINS FOR DELIVERY OF METAL-FREE MRI CONTRAST AGENTS THE U.S.A., AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-07-04 US claimed
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
US-11793074-B2 Organic compound and photoelectric conversion element CANON KABUSHIKI KAISHA (JP) 2023-10-17 US claimed
WO-2023196594-A2 SABRE CATALYSTS CONTAINING FLUORINATED CARBON CHAINS FOR DELIVERY OF METAL-FREE MRI CONTRAST AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-10-12 WO claimed
CN-116615038-A Organic electroluminescent device and display device 清华大学 2023-08-18 CN claimed
EP-3908566-B1 PREPARATION OF 5-ARYL PENTANOLS BASF SE (DE) 2023-07-26 EP claimed
EP-3720858-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-06-07 EP claimed
CN-115692857-A Fluorinated solvent composition, perfluoro electrolyte and lithium ion battery 北京理工大学 2023-02-03 CN claimed
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2022-12-15 US claimed
CN-115385955-A Tetrabiarylphosphine ligands and transition metal complexes thereof 东莞市均成高新材料有限公司 2022-11-25 CN claimed
EP-1082363-A1 ORGANOMETAL COMPOUND, CATALYST SYSTEM CONTAINING SAID ORGANOMETAL COMPOUND AND ITS USE Basell Polyolefine GmbH (DE) 2001-03-14 EP claimed
EP-1043365-A1 Polymerizable 1,2-dipyrazolylethenes as dyes for ophthalmic plastic lenses Hoya Healthcare Corporation (JP) 2000-10-11 EP claimed
WO-2000044799-A1 ORGANOMETAL COMPOUND, CATALYST SYSTEM CONTAINING SAID ORGANOMETAL COMPOUND AND ITS USE TARGOR GMBH (DE) 2000-08-03 WO claimed
US-5206149-A Reaction of peroxidase, oxidant, luminol and 2-hydroxy-9-fluorenone enhancer; chemiluminescence TORAY INDUSTRIES, INC. (JP) 1993-04-27 US claimed
EP-0514785-A2 Alkyl substituted aryl-saccharides, surfactants containing such saccharides, and their use in diagnostic tests Roche Diagnostics GmbH (DE) 1992-11-25 EP claimed
US-4716168-A STIMULANTS OF IMMUNE RESPONSE NORWICH EATON PHARMACEUTICALS, INC. (US) 1987-12-29 US claimed
US-4714734-A POLYSILOXANE CONTAINING AROMATIC RING CONSTITUENT HAVING SMALL'S MOLECULAR ATTRACTION CONSTANT NOT SMALLER THAN 350 BRIDGESTONE CORP. (JP) 1987-12-22 US claimed
EP-0187705-A2 Imidazo(4,5-f)quinolines useful as immunomodulating agents Norwich Eaton Pharmaceuticals, Inc. (US) 1986-07-16 EP claimed
US-4278606-A ETHERIFICATION WITH PHENOL BASF AKTIENGESELLSCHAFT (DE) 1981-07-14 US claimed
US-4139487-A PLASTICIZERS FOR POLYVINYL CHLORIDE, FLEXIBILITY AT LOW TEMPERATURES ALBRIGHT & WILSON LIMITED (GB) 1979-02-13 US claimed