SCHEMBL18092255

SCHEMBL18092255

C=CCOCc1c(C)cc(C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL6577988 0.81 KDM4E (0.31) KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL7890511 0.80 HRH3 (0.39) KMT2AHRH3ALDH1A1NPSR1MEN1
SCHEMBL6580294 0.80 ALDH1A1 (0.36) KMT2AALDH1A1OPRM1OPRD1OPRK1
SCHEMBL8997706 0.77 HRH3 (0.34) HRH3CYP11B1CYP11B2
SCHEMBL26361501 0.76 MEN1 (0.35) KMT2AALDH1A1MEN1POLB
SCHEMBL18092263 0.76 ALDH1A1 (0.37) KMT2ASMN1; SMN2ALDH1A1NPSR1MEN1
SCHEMBL4795602 0.75 ALDH1A1 (0.42) KMT2AALDH1A1NPSR1MEN1POLB
SCHEMBL14219119 0.74 HPGD (0.41) KMT2AALDH1A1MEN1
SCHEMBL5702537 0.74 HRH3 (0.35) KMT2ASMN1; SMN2HRH3ALDH1A1MEN1
SCHEMBL29083597 0.72 HRH3 (0.34) HRH3CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 1374/4885SMN1; SMN2 4046/4885HRH3 619/4885

“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.