SCHEMBL77549

SCHEMBL77549

C#Cc1ccc(-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP1A1 P04798 1/20 0.52
CYP1B1 Q16678 1/20 0.52
ALDH1A1 P00352 2/20 0.50
TAAR1 Q96RJ0 2/20 0.43
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MMP3 P08254 1/20 0.43
BCL2L1 Q07817 1/20 0.43
KCNH2 Q12809 1/20 0.42
KEAP1 Q14145 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
CYP2C9 P11712 1/20 0.40
PYCR1 P32322 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39

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
Fluoride SCHEMBL27604190 0.97 CYP1A2 (0.50) CYP1A2CYP1A1CYP1B1ALDH1A1TAAR1
SCHEMBL28074288 0.97 CYP1A2 (0.50) CYP1A2CYP1A1CYP1B1ALDH1A1TAAR1
Biphenyl SCHEMBL28621540 0.92 ALDH1A1 (0.53) CYP1A2CYP1A1CYP1B1ALDH1A1TAAR1
Phenylacetylene SCHEMBL29010743 0.92 APP (0.45) CYP1A2CYP1A1CYP1B1ALDH1A1TAAR1
SCHEMBL6347456 0.92 EGLN2 (0.44) CYP1A2CYP1A1CYP1B1ALDH1A1CYP3A4
Biphenyl SCHEMBL27577179 0.89 ALDH1A1 (0.50) CYP1A2CYP1A1CYP1B1ALDH1A1TAAR1
SCHEMBL6752540 0.89 CYP1A1 (0.48) CYP1A2CYP1A1CYP1B1ALDH1A1TDP1
SCHEMBL139848 0.88 HDAC8 (0.50) CYP1A2CYP1A1CYP1B1MMP3KEAP1
SCHEMBL139611 0.88 HDAC8 (0.50) CYP1A2CYP1A1CYP1B1MMP3KEAP1
SCHEMBL10160387 0.87 CYP1A2 (0.42) CYP1A2CYP1A1CYP1B1ALDH1A1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120028308-A Small molecule Raman probe, bar code probe, encoding method and application thereof 北京大学 2025-05-23 CN claimed
CN-119708067-A Carbazolyl-containing C≡N cyclometalated platinum (II) complex and preparation method and application thereof 新疆大学 2025-03-28 CN claimed
CN-115838382-B Synthesis method of beta-ketophosphorus oxide 惠州学院 2025-03-04 CN claimed
CN-118812315-A Method for catalyzing alkyne reduction hydrogenation reaction by gold nanowire 南京工业大学 2024-10-22 CN claimed
CN-118791345-A Method for catalyzing alkyne reduction hydrogenation reaction by using palladium nanowire 南京工业大学 2024-10-18 CN claimed
CN-118639250-A Electric double carboxylation method of aryl acetylene and carbon dioxide 南京工业大学 2024-09-13 CN claimed
CN-118479973-A Preparation method of 1-naphthylamine compound 西北工业大学 2024-08-13 CN claimed
CN-118388325-A Preparation method of 1-naphthol compound 西北工业大学 2024-07-26 CN claimed
EP-4121802-B1 HIGH REFRACTIVE INDEX SILOXANE INSERT MATERIALS FOR EMBEDDED CONTACT LENSES ALCON INC (CH) 2024-07-17 EP claimed
CN-118325080-A Conjugated microporous organic polymer hollow sphere and preparation method and application thereof 上海大学 2024-07-12 CN claimed
JP-2005524240-A 2005-08-11 JP claimed
US-6852474-B2 Polymeric antireflective coatings deposited by plasma enhanced chemical vapor deposition BREWER SCIENCE INC. (US) 2005-02-08 US claimed
EP-1502292-A1 POLYMERIC ANTIREFLECTIVE COATINGS DEPOSITED BY PLASMA ENHANCED CHEMICAL VAPOR DEPOSITION Brewer Science, Inc. (US) 2005-02-02 EP claimed
US-20030224586-A1 Polymeric antireflective coatings deposited by plasma enhanced chemical vapor deposition BREWER SCIENCE, INC. 2003-12-04 US claimed
WO-2003094213-A1 POLYMERIC ANTIREFLECTIVE COATINGS DEPOSITED BY PLASMA ENHANCED CHEMICAL VAPOR DEPOSITION BREWER SCIENCE, INC. (US) 2003-11-13 WO claimed
EP-1177227-B1 WATER PLASTICIZED HIGH REFRACTIVE INDEX POLYMER FOR OPHTHALMIC APPLICATIONS SURGIDEV CORP (US) 2003-10-01 EP claimed
EP-0914169-B1 MATERIALS FOR USE IN GLAUCOMA FILTRATION DEVICES ALCON LAB INC (US) 2003-07-30 EP claimed
EP-0103077-B1 SUBSTITUTED DIPEPTIDES, METHODS FOR THEIR PRODUCTION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, METHOD FOR MAKING SUCH PHARMACEUTICAL COMPOSITIONS SCHERING CORPORATION (US) 1988-05-18 EP claimed
US-4665246-A Method of producing ethynyl aromatic compounds CHEM BIOCHEM RESEARCH, INC. (US) 1987-05-12 US claimed
US-4226887-A P-BIPHENYLYLACETYLENE ELI LILLY AND COMPANY (US) 1980-10-07 US claimed