SCHEMBL9865556

SCHEMBL9865556

CC1Cc2sccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.47
NOS3 P29474 3/20 0.37
NOS2 P35228 3/20 0.37
CES1 P23141 1/20 0.37
HTR2C P28335 1/20 0.33

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
SCHEMBL6101157 0.80 HTR2C (0.39) ACHENOS2CES1HTR2C
SCHEMBL15606100 0.73 HTR2C (0.39) NOS3NOS2CES1HTR2C
SCHEMBL16886968 0.73 HTR2C (0.39) NOS3NOS2CES1HTR2C
SCHEMBL11675005 0.73 EDNRB (0.40) ACHENOS3NOS2
SCHEMBL9865315 0.71 USP2 (0.44) NOS3NOS2
SCHEMBL817973 0.69 ACHE (0.46) ACHENOS3NOS2CES1
SCHEMBL14025921 0.69
SCHEMBL8349907 0.69
SCHEMBL30973421 0.68 NOS3 (0.33) NOS3NOS2CES1HTR2C
SCHEMBL817816 0.68 ACHE (0.44) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2905285-B1 TRANSITION METAL COMPOUND HAVING HETEROATOM, A CATALYST COMPOSITION COMPRISING SAME, AND METHOD FOR PREPARING POLYMER USING SAME LG CHEMICAL LTD (KR) 2017-04-05 EP disclosed
US-9359388-B2 Transition metal compound having heteroatom, catalystic composition including the same, and method for preparing polymers using the same LG CHEM, LTD. (KR) 2016-06-07 US disclosed
US-9359388-B2 Transition metal compound having heteroatom, catalystic composition including the same, and method for preparing polymers using the same LG CHEM, LTD. (KR) 2016-06-07 US disclosed
US-20150239916-A1 TRANSITION METAL COMPOUND HAVING HETEROATOM, CATALYSTIC COMPOSITION INCLUDING THE SAME, AND METHOD FOR PREPARING POLYMERS USING THE SAME LG CHEM, LTD. (KR) 2015-08-27 US disclosed
US-20150239916-A1 TRANSITION METAL COMPOUND HAVING HETEROATOM, CATALYSTIC COMPOSITION INCLUDING THE SAME, AND METHOD FOR PREPARING POLYMERS USING THE SAME LG CHEM, LTD. (KR) 2015-08-27 US disclosed
EP-2905285-A1 TRANSITION METAL COMPOUND HAVING HETEROATOM, A CATALYST COMPOSITION COMPRISING SAME, AND METHOD FOR PREPARING POLYMER USING SAME LG Chem, Ltd. (KR) 2015-08-12 EP disclosed
US-4992090-A Herbicidally active 5,6-dihydrocyclopentathiophenyl-imidazole derivatives CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed
EP-0347378-A1 Imidazole derivatives CIBA-GEIGY AG (CH) 1989-12-20 EP 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-20150239916-A1 TRANSITION METAL COMPOUND HAVING HETEROATOM, CATALYSTIC COMPOSITION INCLUDING THE SAME, AND METHOD FOR PREPARING POLYMERS USING THE SAME THEM6, TIMCC, PICALM ACHE 673/4885NOS3 2949/4885NOS2 1374/4885

“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.