SCHEMBL18092256

SCHEMBL18092256

Cc1cc(C)c(COCC(C)C)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
TACR1 P25103 10/20 0.35
NOS3 P29474 5/20 0.33
NOS1 P29475 5/20 0.33
NOS2 P35228 5/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL7890511 0.82 HRH3 (0.39) HRH3
SCHEMBL5702537 0.76 HRH3 (0.35) HRH3
SCHEMBL18092258 0.75 KDM4E (0.49) PTPN1TACR1
SCHEMBL29083597 0.74 HRH3 (0.34) HRH3
SCHEMBL29083610 0.74 HRH3 (0.34) HRH3
SCHEMBL8997706 0.74 HRH3 (0.34) HRH3
SCHEMBL14443339 0.74 HRH3 (0.34) PTPN1TACR1HRH3
SCHEMBL18092254 0.72 PTPN1 (0.35) PTPN1HRH3
SCHEMBL11356421 0.71 HRH3 (0.32) HRH3
SCHEMBL14443342 0.71 NOS3 (0.33) NOS3NOS1NOS2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106008178-B Novel organoleptic compounds 国际香料和香精公司 2020-09-18 CN disclosed
EP-3072875-B1 ORGANOLEPTIC COMPOUNDS INT FLAVORS & FRAGRANCES INC (US) 2018-06-13 EP disclosed
EP-3072875-B1 ORGANOLEPTIC COMPOUNDS INT FLAVORS & FRAGRANCES INC (US) 2018-06-13 EP disclosed
US-9701605-B2 Organoleptic compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2017-07-11 US disclosed
US-9701605-B2 Organoleptic compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2017-07-11 US disclosed
US-9701605-B2 Organoleptic compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2017-07-11 US disclosed
CN-106008178-A Organoleptic compounds 国际香料和香精公司 2016-10-12 CN disclosed
US-20160280620-A1 NOVEL ORGANOLEPTIC COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2016-09-29 US disclosed
US-20160280620-A1 NOVEL ORGANOLEPTIC COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2016-09-29 US disclosed
EP-3072875-A1 ORGANOLEPTIC COMPOUNDS Belko, Robert P. (US) 2016-09-28 EP disclosed
EP-3072875-A1 ORGANOLEPTIC COMPOUNDS Belko, Robert P. (US) 2016-09-28 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-20160280620-A1 NOVEL ORGANOLEPTIC COMPOUNDS TRPA1, TRPV1, TRPV5 PTPN1 4863/4885TACR1 918/4885NOS3 2898/4885

“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.