SCHEMBL819968

SCHEMBL819968

CCCCc1[c]cccc1C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.35
KCNH2 Q12809 2/20 0.33
HSD11B1 P28845 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL815744 0.94 KCNH2 (0.40) KCNH2HSD11B1
SCHEMBL984975 0.92 KCNH2 (0.43) KCNH2
SCHEMBL983090 0.92 KCNH2 (0.43) KCNH2
SCHEMBL982033 0.92 KCNH2 (0.43) KCNH2
SCHEMBL3223563 0.92 KCNH2 (0.43) KCNH2
SCHEMBL980143 0.92 KCNH2 (0.43) KCNH2
SCHEMBL815610 0.92 KCNH2 (0.43) KCNH2
SCHEMBL2958748 0.92 KCNH2 (0.43) KCNH2
SCHEMBL984972 0.92 KCNH2 (0.43) KCNH2
SCHEMBL258549 0.88 TSHR (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US claimed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP claimed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US claimed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP claimed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO claimed
CN-118302407-A Carbonyl compound, method for producing isocyanate compound, and isocyanate composition 旭化成株式会社 2024-07-05 CN disclosed
CN-118215651-A Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition 旭化成株式会社 2024-06-18 CN disclosed
WO-2023080257-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
WO-2023080258-A1 CARBONYL COMPOUND, METHOD FOR PRODUCING CARBONYL COMPOUND, METHOD FOR PRODUCING ISOCYANATE COMPOUND, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
CN-112020493-B Method for producing urethane and method for producing isocyanate 旭化成株式会社 2023-04-21 CN disclosed
US-20230021574-A1 METHOD FOR PRODUCING ISOCYANATE ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-01-26 US disclosed
CN-114728892-A Method for producing isocyanate 旭化成株式会社 2022-07-08 CN disclosed
US-4253864-A PROTECT CROPS FROM HERBICIDE DAMAGE MONSANTO COMPANY (US) 1981-03-03 US disclosed
US-4251469-A ADDITIVES FOR EXTREME PRESSURE LUBRICANTS CIBA-GEIGY CORPORATION (US) 1981-02-17 US disclosed
US-4250320-A Process for producing substituted benzoxaphospholes MONSANTO COMPANY (US) 1981-02-10 US disclosed
US-4242440-A Thermochromic polyacetylenes used in laser beam recording method ALLIED CHEMICAL CORPORATION (US) 1980-12-30 US disclosed
US-4215208-A Thermochromic polyacetylenes containing urethane groups ALLIED CHEMICAL CORPORATION (US) 1980-07-29 US disclosed
US-4197209-A Lubricant compositions containing sulfur-containing esters of phosphoric acid CIBA-GEIGY CORPORATION (US) 1980-04-08 US disclosed
US-4189453-A FROM MERCAPTANS AND PHOSPHORUS TRIHALIDE, CATALYTIC CIBA-GEIGY CORPORATION (US) 1980-02-19 US disclosed
US-4105685-A B-HALOGENO-ETHYL SILANES CIBA-GEIGY CORPORATION (US) 1978-08-08 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 (2 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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 SKP2 65/4885KCNH2 1681/4885HSD11B1 2320/4885
US-20230021574-A1 METHOD FOR PRODUCING ISOCYANATE CPS1, IDH3A, ALKBH3 SKP2 2274/4885KCNH2 101/4885HSD11B1 2591/4885

“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.