SCHEMBL16029802

SCHEMBL16029802

Cc1cccc(C2(C)CCCCC2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.50
HSD11B1 P28845 2/20 0.43
HSD11B2 P80365 1/20 0.43
ACHE P22303 1/20 0.42
OPRD1 P41143 2/20 0.42
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
SLC6A2 P23975 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CHRND Q07001 1/20 0.41
HTR2C P28335 2/20 0.39
HTR2A P28223 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39

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
SCHEMBL8765620 0.82 HSD11B1 (0.55) HDAC4HSD11B1HSD11B2ACHEOPRD1
SCHEMBL12638640 0.81 ICMT (0.47) HDAC4HSD11B1ACHEOPRD1CHRNA1
SCHEMBL4442931 0.79 CCR2 (0.44) HDAC4HSD11B1ACHEOPRD1CHRNA1
SCHEMBL5808986 0.78 OPRD1 (0.67) ACHEOPRD1SLC6A2OPRM1OPRK1
SCHEMBL28173900 0.78 HDAC4 (0.49) HDAC4HSD11B1HSD11B2ACHEOPRD1
SCHEMBL13061001 0.78
SCHEMBL9149484 0.78 OPRM1 (0.55) HDAC4HSD11B1HSD11B2ACHEOPRD1
SCHEMBL6448660 0.78 SLC6A4 (0.57) HSD11B1OPRD1CHRNA1CHRNGCHRNB1
SCHEMBL2387990 0.76 SLC6A4 (0.48) OPRD1SLC6A2SLC6A3OPRM1
SCHEMBL19382448 0.76 SLC6A4 (0.48) OPRD1SLC6A2SLC6A3OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970051-B1 (METHYLCYCLOHEXYL)TOLUENE ISOMER MIXTURES, THEIR PRODUCTION AND THEIR USE IN THE MANUFACTURE OF PLASTICIZERS EXXONMOBIL CHEMICAL PATENTS INC (US) 2018-04-18 EP claimed
US-9580572-B2 (Methylcyclohexyl)toluene isomer mixtures,their production and their use in the manufacture of plasticizers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-02-28 US claimed
EP-2970051-A1 (METHYLCYCLOHEXYL)TOLUENE ISOMER MIXTURES, THEIR PRODUCTION AND THEIR USE IN THE MANUFACTURE OF PLASTICIZERS ExxonMobil Chemical Patents Inc. (US) 2016-01-20 EP claimed
CN-105026345-A (Methylcyclohexyl)toluene isomer mixtures, their production and their use in the manufacture of plasticizers EXXONMOBIL CHEM PATENTS INC 2015-11-04 CN claimed
WO-2014159100-A1 (METHYLCYCLOHEXYL)TOLUENE ISOMER MIXTURES, THEIR PRODUCTION AND THEIR USE IN THE MANUFACTURE OF PLASTICIZERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-10-02 WO claimed
US-20140275605-A1 (Methylcyclohexyl)Toluene Isomer Mixtures,Their Production and Their Use in the Manufacture of Plasticizers EXXONMOBIL CHEMICAL PATENTS INC. 2014-09-18 US claimed
EP-3442932-B1 PRODUCTION OF METHYL-SUBSTITUTED BIPHENYL COMPOUNDS EXXONMOBIL CHEMICAL PATENTS INC (US) 2019-11-20 EP disclosed
EP-2970051-B1 (METHYLCYCLOHEXYL)TOLUENE ISOMER MIXTURES, THEIR PRODUCTION AND THEIR USE IN THE MANUFACTURE OF PLASTICIZERS EXXONMOBIL CHEMICAL PATENTS INC (US) 2018-04-18 EP disclosed
US-9580572-B2 (Methylcyclohexyl)toluene isomer mixtures,their production and their use in the manufacture of plasticizers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-02-28 US disclosed
EP-2970051-A1 (METHYLCYCLOHEXYL)TOLUENE ISOMER MIXTURES, THEIR PRODUCTION AND THEIR USE IN THE MANUFACTURE OF PLASTICIZERS ExxonMobil Chemical Patents Inc. (US) 2016-01-20 EP disclosed
CN-105026345-A (Methylcyclohexyl)toluene isomer mixtures, their production and their use in the manufacture of plasticizers EXXONMOBIL CHEM PATENTS INC 2015-11-04 CN disclosed
WO-2014159100-A1 (METHYLCYCLOHEXYL)TOLUENE ISOMER MIXTURES, THEIR PRODUCTION AND THEIR USE IN THE MANUFACTURE OF PLASTICIZERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-10-02 WO disclosed
US-20140275605-A1 (Methylcyclohexyl)Toluene Isomer Mixtures,Their Production and Their Use in the Manufacture of Plasticizers EXXONMOBIL CHEMICAL PATENTS INC. 2014-09-18 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 (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-20140275605-A1 (Methylcyclohexyl)Toluene Isomer Mixtures,Their Production and Their Use in the Manufacture of Plasticizers DDT, CYP3A4, TERT HDAC4 2168/4885HSD11B1 587/4885HSD11B2 655/4885

“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.