SCHEMBL4467722

SCHEMBL4467722

CC[C@H]1CC[C@@]2(CCC(=O)O2)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
PRKCA P17252 4/20 0.31
HSD11B1 P28845 1/20 0.31
SIRT2 Q8IXJ6 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
SCHEMBL11000682 1.00 KDM4E (0.36) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL2186874 1.00 KDM4E (0.36) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL21408682 0.83 CYP1A2 (0.41) HPGDPOLBPRKCASIRT2
SCHEMBL21408496 0.82 CYP1A2 (0.47) PRKCASIRT2
SCHEMBL21408663 0.80 CYP1A2 (0.46) PRKCASIRT2
SCHEMBL18642656 0.80 LMNA (0.33) LMNATSHRSIRT2
SCHEMBL21314187 0.80 LMNA (0.33) LMNATSHRSIRT2
SCHEMBL1357905 0.79 CA1 (0.35) ALDH1A1GAAHPGDSMN1; SMN2LMNA
SCHEMBL3795302 0.79 CA1 (0.35) ALDH1A1GAAHPGDSMN1; SMN2LMNA
SCHEMBL10988832 0.79 CA1 (0.35) ALDH1A1GAAHPGDSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4519944-A Spirolactones as odorants GIVAUDAN CORPORATION (US) 1985-05-28 US claimed
EP-1742929-B1 Trisubstituted furans suitable for the preparation of fragrance compositions GIVAUDAN SA (CH) 2012-06-20 EP disclosed
US-7632790-B2 2,2-Disubstituted-5-methyl-2,5-dihydro- and 2,2-disubstituted 5-methyl-tetrahydrofurans; 2-tert-butyl-5-methyl-2-propyl-2,5-dihydrofuran or tetrahydrofuran;black currant odorants free of any sulfur by-products; fruity; impart naturalness andfreshness; cosmetics; toiletries; laundering GIVAUDAN S.A. (CH) 2009-12-15 US disclosed
US-20080039360-A1 Trisubstituted Furans Suitable For The Preparation Of Fragrance Compositions GIVAUDAN S.A. (CH) 2008-02-14 US disclosed
EP-1742929-A1 TRISUBSTITUTED FURANS SUITABLE FOR THE PREPARATION OF FRAGRANCE COMPOSITIONS Givaudan SA (CH) 2007-01-17 EP disclosed
WO-2005087756-A1 TRISUBSTITUTED FURANS SUITABLE FOR THE PREPARATION OF FRAGRANCE COMPOSITIONS GIVAUDAN SA (CH) 2005-09-22 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-20080039360-A1 Trisubstituted Furans Suitable For The Preparation Of Fragrance Compositions TAS2R5, TAS2R1, DHPS KDM4E 437/4885ALDH1A1 163/4885GAA 4783/4885

“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.