SCHEMBL19853437

SCHEMBL19853437

CCCCC(=O)C1(C)C(C)CCCC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPV1 Q8NER1 2/20 0.34
LMNA P02545 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
NAAA Q02083 2/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL21065793 0.83 CYP1A2 (0.33)
SCHEMBL27981153 0.75 NAAA (0.40) TRPV1CES2CES1NAAA
SCHEMBL27981161 0.75 NAAA (0.40) TRPV1CES2CES1NAAA
SCHEMBL21065795 0.74
SCHEMBL21048073 0.73 ALDH1A1 (0.33) ALDH1A1
SCHEMBL27942215 0.73 MEN1 (0.35) MEN1POLBMAPTKMT2ACES2
SCHEMBL27981431 0.73 MEN1 (0.33) MEN1POLBMAPTKMT2ANAAA
SCHEMBL23092062 0.72 F10 (0.34) MEN1POLBKMT2AALDH1A1
SCHEMBL1142880 0.71 MEN1 (0.33) MEN1POLBMAPTKMT2ANAAA
SCHEMBL27960412 0.70 MEN1 (0.37) MEN1POLBMAPTKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3494103-B1 1-HYDROXYMETHYL-1,2,2,6-TETRAMETHYL-CYCLOHEXANE AND DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICALS BASF SE (DE) 2021-10-06 EP disclosed
US-20190169108-A1 1-HYDROXYMETHYL-1,2,2,6-TETRAMETHYL-CYCLOHEXANE AND DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICALS BASF CHEMICALS INDIA PVT. LTD. (IN) 2019-06-06 US disclosed
WO-2018024820-A1 1-HYDROXYMETHYL-1,2,2,6-TETRAMETHYL-CYCLOHEXANE AND DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICALS BASF SE (DE) 2018-02-08 WO 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-20190169108-A1 1-HYDROXYMETHYL-1,2,2,6-TETRAMETHYL-CYCLOHEXANE AND DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICALS TMT1A, CYP19A1, CYP51A1 MEN1 718/4885POLB 4250/4885MAPT 1604/4885

“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.