Cyclohexane

Cyclohexane

SCHEMBL983015

C1CCCCC1.CCCC.CCOC(N)=O

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.75
ALDH1A1 P00352 5/20 0.43
LMNA P02545 4/20 0.43
HSD17B10 Q99714 3/20 0.43
GAA P10253 3/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
SOAT1 P35610 1/20 0.40
TSHR P16473 3/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
HTR1A P08908 1/20 0.38
CHRNB2 P17787 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
Cyclohexane SCHEMBL16242963 0.95 ALOX15 (0.83) ALOX15ALDH1A1LMNAHSD17B10GAA
Urethane SCHEMBL7866246 0.95
Urethane SCHEMBL5597551 0.95 ALOX15 (0.83) ALOX15ALDH1A1LMNAHSD17B10GAA
Urethane SCHEMBL10525934 0.92 ALOX15 (0.88) ALOX15ALDH1A1LMNAHSD17B10GAA
Urethane SCHEMBL8505249 0.87 ALOX15 (1.00) ALOX15ALDH1A1LMNAHSD17B10GAA
Urethane SCHEMBL8136 0.87
Urethane SCHEMBL27632514 0.87 ALOX15 (1.00) ALOX15ALDH1A1LMNAHSD17B10GAA
Urethane SCHEMBL8830978 0.87 ALOX15 (1.00) ALOX15ALDH1A1LMNAHSD17B10GAA
Urethane SCHEMBL8129017 0.87 ALOX15 (1.00) ALOX15ALDH1A1LMNAHSD17B10GAA
Urethane SCHEMBL367439 0.87 ALOX15 (1.00) ALOX15ALDH1A1LMNAHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275405-B1 PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE ASAHI CHEMICAL IND (JP) 2019-04-24 EP disclosed
EP-2275406-B1 PROCESS FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2018-11-28 EP disclosed
EP-2792673-B1 Carbamic acid ester derivatives for the production of isocyanate and aromatic hydroxy compounds ASAHI CHEMICAL IND (JP) 2018-07-25 EP disclosed
US-9233918-B2 Isocyanate production process ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-01-12 US disclosed
EP-2213658-B1 METHOD FOR PRODUCTION OF ISOCYANATE AND AROMATIC HYDROXY COMPOUND ASAHI KASEI CHEMICALS CORP (JP) 2015-09-09 EP disclosed
US-8895774-B2 Process for producing isocyanates using diaryl carbonate ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-11-25 US disclosed
EP-2792673-A1 Carbamic acid ester derivatives for the production of isocyanate and aromatic hydroxy compounds Asahi Kasei Chemicals Corporation (JP) 2014-10-22 EP disclosed
US-8703989-B2 Isocyanates and aromatic hydroxy compounds ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-04-22 US disclosed
US-20130178643-A1 Isocyanates and Aromatic Hydroxy Compounds ASAHI KASEI CHEMICAL CORPORATION (JP) 2013-07-11 US disclosed
EP-2088138-B1 Process for producing isocyanate ASAHI KASEI CHEMICALS CORP (JP) 2013-02-27 EP disclosed
US-20110319648-A1 Isocyanates and Aromatic Hydroxy Compounds SHINOHATA MASAAKI (JP) 2011-12-29 US disclosed
US-7977504-B2 Process for producing isocyanates and aromatic hydroxy compounds ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-07-12 US disclosed
US-20110092731-A1 ISOCYANATE PRODUCTION PROCESS ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-04-21 US disclosed
US-20110054211-A1 PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-03-03 US disclosed
EP-2275405-A1 PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 EP disclosed
EP-2275406-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 EP disclosed
US-20100274047-A1 PROCESS FOR PRODUCING OF ISOCYANATES AND AROMATIC HYDROXY COMPOUNDS ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-10-28 US disclosed
EP-2213658-A1 METHOD FOR PRODUCTION OF ISOCYANATE AND AROMATIC HYDROXY COMPOUND Asahi Kasei Chemicals Corporation (JP) 2010-08-04 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 (6 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-20110319648-A1 Isocyanates and Aromatic Hydroxy Compounds PAH, APEH, HPD ALOX15 3718/4885ALDH1A1 2817/4885LMNA 3335/4885
US-20110092731-A1 ISOCYANATE PRODUCTION PROCESS CPS1, PHGDH, APEH ALOX15 3286/4885ALDH1A1 2204/4885LMNA 2379/4885
US-20100069665-A1 PROCESS FOR PRODUCING ISOCYANATES CPS1, IDH2, PHGDH ALOX15 2381/4885ALDH1A1 1960/4885LMNA 4077/4885
US-20110054211-A1 PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE PAH, AADAC, PHGDH ALOX15 3479/4885ALDH1A1 3223/4885LMNA 3368/4885
US-20130178643-A1 Isocyanates and Aromatic Hydroxy Compounds PAH, APEH, HPD ALOX15 3718/4885ALDH1A1 2817/4885LMNA 3335/4885
US-20100274047-A1 PROCESS FOR PRODUCING OF ISOCYANATES AND AROMATIC HYDROXY COMPOUNDS PAH, APEH, HPD ALOX15 3502/4885ALDH1A1 2913/4885LMNA 3605/4885

“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.