SCHEMBL4457730

SCHEMBL4457730

Cc1ccc(C#Cc2ccc(C)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.64
CA2 P00918 4/20 0.58
CA9 Q16790 4/20 0.58
CA12 O43570 3/20 0.58
CA1 P00915 3/20 0.58
KCNH2 Q12809 2/20 0.58
ALDH1A1 P00352 3/20 0.58
CYP2A6 P11509 1/20 0.58
ACHE P22303 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
FFAR1 O14842 2/20 0.50
APP P05067 2/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL9445826 1.00 GRM5 (0.64) GRM5CA2CA9CA12CA1
SCHEMBL9715647 0.97 GRM5 (0.61) GRM5CA2CA9CA12CA1
SCHEMBL15014207 0.88 APP (0.67) GRM5CA2CA9CA12CA1
SCHEMBL2831992 0.88 APP (0.67) GRM5CA2CA9CA12CA1
SCHEMBL10091202 0.88 APP (0.67) GRM5CA2CA9CA12CA1
SCHEMBL5012559 0.87 ALDH1A1 (0.52) GRM5CA2CA9CA12CA1
SCHEMBL10035462 0.86 ALDH1A1 (0.68) GRM5CA2CA9CA12CA1
SCHEMBL12246439 0.86 KCNH2 (0.54) GRM5CA2CA9CA12CA1
SCHEMBL21564900 0.86 GRM5 (0.52) GRM5CA2CA9CA12CA1
SCHEMBL10035461 0.86 APP (0.74) GRM5CA2CA9CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117285454-A Synthesis method of indole derivative and benzodipyrrole derivative 南京邮电大学 2023-12-26 CN claimed
CN-114560761-B Method for one-time synthesis of 2,3-disubstituted indanone derivative in aqueous phase 南京林业大学 2023-02-24 CN claimed
CN-110028394-B Synthetic method of indanone and derivatives thereof 南京邮电大学 2021-09-17 CN claimed
CN-119505932-A Preparation method of diphenylacetylene liquid crystal compound containing terminal alkene 江苏和成新材料有限公司 2025-02-25 CN disclosed
CN-119192123-A Preparation method of polysubstituted isocoumarin compound 厦门医学院 2024-12-27 CN disclosed
CN-118420533-A Method for synthesizing isoquinolinone by carbonylation of aryl alkyne and hydroxylamine 中国科学技术大学 2024-08-02 CN disclosed
CN-118324603-A Method for synthesizing chrysene derivatives through palladium-catalyzed cycloaromatization reaction 湖南师范大学 2024-07-12 CN disclosed
CN-117964529-A Method for synthesizing E-alkenyl thioether compound 江苏海洋大学 2024-05-03 CN disclosed
CN-117945820-A Method for synthesizing alpha, beta-unsaturated aldehyde compound by copper catalysis 江苏海洋大学 2024-04-30 CN disclosed
CN-117924191-A Polysubstituted olefin derivative and preparation method and application thereof 杭州师范大学 2024-04-26 CN disclosed
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
EP-0006130-B1 PROCESS FOR THE CATALYTIC PREPARATION OF POLYMERS OR COPOLYMERS OF ALPHA-OLEFINS HAVING A HIGH ISOTACTICITY INDEX, AND COMPOSITION BASED ON TITANIUM CHLORIDE SUITABLE AS COMPONENT OF THE CATALYTIC SYSTEMS USED IN THIS PROCESS ATO CHIMIE (FR) 1982-12-08 EP disclosed
US-4287093-A BY USING A CATALYST MADE FROM TITANIUM TRICHLORIDE OR TETRACHLORIDE AND AN ORGANOALUMINUM COMPOUND, AND CONTAINING A CROWN COMPOUND AS A STEREOSPECIFICITY ADDITIVE ATO CHIMIE (FR) 1981-09-01 US disclosed
US-4259208-A STEREOSPECIFICITY ADDITIVE CONTAINING SULFIDE AND ETHER LINKAGES ATO CHEMIE (FR) 1981-03-31 US disclosed
US-4228252-A STEREOSPECIFIC ADDITIVE OF A SULFIDE AND ETHER COMPOUND ATO CHIMIE (FR) 1980-10-14 US disclosed
US-4228253-A STEREOSPECIFIC CROWN ETHER ADDITIVE AND AN ACTIVATOR HAVE A SYNERGISTIC EFFECT ATO CHIMIE (FR) 1980-10-14 US disclosed
EP-0006130-A1 Process for the catalytic preparation of polymers or copolymers of alpha-olefins having a high isotacticity index, and composition based on titanium chloride suitable as component of the catalytic systems used in this process ATO CHIMIE (FR) 1980-01-09 EP disclosed
US-4158099-A FROM SCHIFF BASES AND BIPHENYL COMPOUND CIBA-GEIGY AG (CH) 1979-06-12 US disclosed
US-4014644-A OPTICAL BRIGHTENERS FOR POLYAMIDES AND CELLULOSE CIBA-GEIGY CORPORATION (US) 1977-03-29 US disclosed
US-3991049-A Aromatic compounds containing ethylene double bonds, processes for their manufacture and use CIBA-GEIGY AG (CH) 1976-11-09 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-20240072425-A1 AROMATIC ISOTHIOCYANATES TRPA1, TRPC1, CRY1 GRM5 3081/4885CA2 1678/4885CA9 1715/4885

“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.