SCHEMBL77244

SCHEMBL77244

C#CC(O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
LMNA P02545 4/20 0.42
MAPK1 P28482 2/20 0.42
CACNA2D1 P54289 1/20 0.41
CACNB2 Q08289 1/20 0.41
CACNA1C Q13936 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
HIF1A Q16665 1/20 0.39
HTT P42858 1/20 0.39
CYP2D6 P10635 1/20 0.39
SRC P12931 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
SCHEMBL236726 1.00 TSHR (0.58) TSHRLMNAMAPK1CACNA2D1CACNB2
SCHEMBL235417 1.00 TSHR (0.58) TSHRLMNAMAPK1CACNA2D1CACNB2
Carbamic Acid SCHEMBL10434705 0.89 TSHR (0.48) TSHRLMNAMAPK1CYP2D6SRC
Acetic Acid SCHEMBL28643353 0.89 TSHR (0.48) TSHRLMNAMAPK1CACNA2D1CACNB2
SCHEMBL6390318 0.86 PTGS2 (0.48) TSHRALDH1A1CYP2D6
SCHEMBL29184903 0.86 ESR1 (0.46) TSHR
SCHEMBL8681266 0.81 TSHR (0.41) TSHRLMNAMAPK1ALDH1A1HIF1A
SCHEMBL6965069 0.81 SRD5A2 (0.54) TSHR
SCHEMBL9547891 0.78 TSHR (0.64) TSHRLMNAMAPK1CACNA2D1CACNB2
SCHEMBL6962580 0.77 ESR1 (0.62) TSHRLMNAALDH1A1KDM4EHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036799-A Gold (I) complex containing alkyne-based ligand, preparation method thereof and application thereof in preparation of antitumor drugs 西南医科大学附属医院 2026-05-15 CN claimed
US-12559655-B2 Polysiloxane-containing temporary adhesive comprising heat-resistant polymerization inhibitor NISSAN CHEMICAL CORPORATION (JP) 2026-02-24 US claimed
WO-2025053791-A1 ONE-POT GRAFTING OF POLYMERS FROM ALCOHOLS AND BIOMASSES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2025-03-13 WO claimed
EP-4003710-B1 A PROCESS FOR PRODUCING A MOLDED SILICONE RUBBER PRODUCT FROM LIQUID SILICONE RUBBER COMPOSITION VIA INJECTION MOLDING ELKEM SILICONES USA CORP (US) 2025-03-12 EP claimed
US-20240368402-A1 HYDROSILYLATION CURE INHIBITORS AND USE THEREOF DOW SILICONES CORP (US) 2024-11-07 US claimed
US-12071543-B2 Hydrosilylation cure inhibitors and use thereof DOW SILICONES CORPORATION (US) 2024-08-27 US claimed
EP-4251402-B1 HYDROSILYLATION CURE INHIBITORS AND USE THEREOF DOW SILICONES CORP (US) 2024-06-19 EP claimed
CN-118108718-A Benzimidazolo [1,2-b ] isoquinoline compounds, and preparation and application thereof 中国科学院大连化学物理研究所 2024-05-31 CN claimed
CN-116406323-B Hydrosilylation cure inhibitors and uses thereof 美国陶氏有机硅公司 2024-04-02 CN claimed
US-11905413-B2 Process and a device assembly useful for producing a molded silicone rubber product from liquid silicone rubber composition via injection molding Elkem Silicones USA Corp. (US) 2024-02-20 US claimed
US-5801183-A HETEROCYCLC ALCOHOLS FOR NERVOUS SYSTEM DISORDERS STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1998-09-01 US claimed
WO-1997031044-A1 WATER-DISPERSIBLE POLYMER AND COATING COMPOSITION CONTAINING THE SAME THE DEXTER CORPORATION (US) 1997-08-28 WO claimed
EP-0476645-B1 Calcium uptake inhibitors MERRELL DOW PHARMA (US) 1995-09-06 EP claimed
EP-0404030-B1 Method for coating substrates with UV curable epoxysilicone compositions GEN ELECTRIC (US) 1994-02-09 EP claimed
EP-0476645-A1 Calcium uptake inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1992-03-25 EP claimed
EP-0192130-B1 CORROSION INHIBITOR COMPOSITION HENKEL CORPORATION (a Delaware corp.) (US) 1990-06-27 EP claimed
EP-0324191-A1 Tert.-butyl alkynols BASF Aktiengesellschaft (DE) 1989-07-19 EP claimed
EP-0192130-A2 Corrosion inhibitor composition HENKEL CORPORATION (a Delaware corp.) (US) 1986-08-27 EP claimed
EP-0169400-A1 Aminomethyl derivatives and preparation process thereof as well as platelet aggregation inhibitors containing same SS PHARMACEUTICAL CO., LTD. (JP) 1986-01-29 EP claimed
US-3994936-A Catalytic rearrangement HOFFMANN-LA ROCHE INC. (US) 1976-11-30 US claimed

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-12559655-B2 Polysiloxane-containing temporary adhesive comprising heat-resistant polymerization inhibitor ITGA1, HSPA1A, TCP1 TSHR 1618/4885LMNA 1297/4885MAPK1 1590/4885

“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.