SCHEMBL984057

SCHEMBL984057

CCCc1cccc(-c2[c]cccc2)c1CCC

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30
ELANE P08246 1/20 0.30
CTSG P08311 1/20 0.30

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
SCHEMBL982134 0.88 NR1H2 (0.38) NR1H2NR1H3ELANECTSG
SCHEMBL983253 0.86 NR1H2 (0.34) NR1H2NR1H3
SCHEMBL12816417 0.85 NR1H2 (0.46) NR1H2NR1H3ELANECTSG
SCHEMBL983060 0.80 GABRA1 (0.35)
SCHEMBL8674511 0.78 ELANE (0.38) KDM4EALDH1A1GAAHPGDNR1H2
SCHEMBL4527020 0.77 KDM4E (0.38) KDM4EALDH1A1GAAHPGDNR1H2
SCHEMBL982518 0.77 NR1H2 (0.42) NR1H2NR1H3ELANECTSG
SCHEMBL982139 0.75 MGLL (0.37) ALDH1A1NR1H2NR1H3
SCHEMBL981930 0.75 NR1H2 (0.48) NR1H2NR1H3
SCHEMBL983504 0.74 NR1H2 (0.50) NR1H2NR1H3

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-2275406-B1 PROCESS FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2018-11-28 EP disclosed
EP-3320065-A1 COMPOSITION AND METHOD FOR PREVENTING OR REDUCING ENGINE KNOCK AND PRE-IGNITION IN HIGH COMPRESSION SPARK IGNITION ENGINES ExxonMobil Research and Engineering Company (US) 2018-05-16 EP disclosed
WO-2017007669-A1 COMPOSITION AND METHOD FOR PREVENTING OR REDUCING ENGINE KNOCK AND PRE-IGNITION IN HIGH COMPRESSION SPARK IGNITION ENGINES EXXONMPBIL RESEARCH AND ENGINEERING COMPANY (US) 2017-01-12 WO disclosed
US-9233918-B2 Isocyanate production process ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-01-12 US disclosed
US-8921290-B2 Gear oil compositions EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2014-12-30 US disclosed
US-20130184191-A1 GEAR OIL COMPOSITIONS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2013-07-18 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

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-20110092731-A1 ISOCYANATE PRODUCTION PROCESS CPS1, PHGDH, APEH KDM4E 1003/4885ALDH1A1 2204/4885GAA 187/4885

“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.