SCHEMBL984974

SCHEMBL984974

CCCCCCCCC(C)c1[c]cccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
KCNH2 Q12809 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
NR1I2 O75469 1/20 0.33
CNR2 P34972 1/20 0.33
OPRM1 P35372 1/20 0.32
NR5A2 O00482 1/20 0.32
NR5A1 Q13285 1/20 0.32

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
SCHEMBL980142 1.00 CSNK1E (0.36) CSNK1EALDH1A1KMT2AMEN1NPSR1
SCHEMBL3223557 1.00 CSNK1E (0.36) CSNK1EALDH1A1KMT2AMEN1NPSR1
SCHEMBL982032 1.00 CSNK1E (0.36) CSNK1EALDH1A1KMT2AMEN1NPSR1
SCHEMBL2958747 1.00 CSNK1E (0.36) CSNK1EALDH1A1KMT2AMEN1NPSR1
SCHEMBL984970 1.00 CSNK1E (0.36) CSNK1EALDH1A1KMT2AMEN1NPSR1
SCHEMBL983089 1.00 CSNK1E (0.36) CSNK1EALDH1A1KMT2AMEN1NPSR1
SCHEMBL815609 0.98 CSNK1E (0.34) CSNK1EALDH1A1KMT2AMEN1NPSR1
SCHEMBL815743 0.93 POLB (0.34) ALDH1A1CNR2KDM4ESMN1; SMN2
SCHEMBL534244 0.85 SMN1; SMN2 (0.36) SMN1; SMN2
SCHEMBL983413 0.84 NR1I2 (0.40) CSNK1EALDH1A1KMT2AMEN1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3688125-A1 ESTER COMPOUNDS, LUBRICATING OIL COMPOSITIONS CONTAINING SAME AND PROCESSES FOR MAKING SAME ExxonMobil Chemical Patents Inc. (US) 2020-08-05 EP disclosed
EP-3688124-A1 ESTER COMPOUNDS, LUBRICATING OIL COMPOSITIONS CONTAINING SAME AND PROCESSES FOR MAKING SAME ExxonMobil Chemical Patents Inc. (US) 2020-08-05 EP disclosed
EP-3676240-A1 ESTER COMPOUNDS, LUBRICATING OIL COMPOSITIONS CONTAINING SAME AND PROCESSES FOR MAKING SAME ExxonMobil Chemical Patents Inc. (US) 2020-07-08 EP disclosed
WO-2019067060-A1 ESTER COMPOUNDS, LUBRICATING OIL COMPOSITIONS CONTAINING SAME AND PROCESSES FOR MAKING SAME EXXONMOBIL CHEMICAL PATENTS INC. (US) 2019-04-04 WO disclosed
WO-2019067061-A1 ESTER COMPOUNDS, LUBRICATING OIL COMPOSITIONS CONTAINING SAME AND PROCESSES FOR MAKING SAME EXXONMOBIL CHEMICAL PATENTS INC. (US) 2019-04-04 WO disclosed
WO-2019045810-A1 ESTER COMPOUNDS, LUBRICATING OIL COMPOSITIONS CONTAINING SAME AND PROCESSES FOR MAKING SAME EXXONMOBIL CHEMICAL PATENTS INC. (US) 2019-03-07 WO disclosed
EP-2275406-B1 PROCESS FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2018-11-28 EP disclosed
US-9233918-B2 Isocyanate production process ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-01-12 US disclosed
EP-2088138-B1 Process for producing isocyanate ASAHI KASEI CHEMICALS CORP (JP) 2013-02-27 EP disclosed
US-8362293-B2 Process for producing isocyanates ASAHI KASEI CHEMICALS CORPORATION (JP) 2013-01-29 US disclosed
US-20110092731-A1 ISOCYANATE PRODUCTION PROCESS ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-04-21 US disclosed
EP-2275406-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 EP disclosed
US-20100069665-A1 PROCESS FOR PRODUCING ISOCYANATES AHAHI KASEI CHEMICALS CORPORATION (JP) 2010-03-18 US disclosed
EP-2088138-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2009-08-12 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 (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-20110092731-A1 ISOCYANATE PRODUCTION PROCESS CPS1, PHGDH, APEH CSNK1E 1382/4885ALDH1A1 2204/4885KMT2A 1901/4885
US-20100069665-A1 PROCESS FOR PRODUCING ISOCYANATES CPS1, IDH2, PHGDH CSNK1E 1340/4885ALDH1A1 1960/4885KMT2A 1470/4885

“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.