SCHEMBL6561568

SCHEMBL6561568

CCCC(C)C1(O)CCCC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
GABRB3 P28472 1/20 0.31
OPRD1 P41143 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 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
SCHEMBL7562203 0.98 TSHR (0.32) TSHRKDM4EALDH1A1CYP3A4GABRB3
SCHEMBL20016757 0.98 TSHR (0.32) TSHRKDM4EALDH1A1CYP3A4GABRB3
SCHEMBL7115586 0.85 SLC6A4 (0.33) ALDH1A1
SCHEMBL18076321 0.83 OPRM1 (0.37) OPRD1
SCHEMBL26860298 0.80 TSHR (0.32) TSHR
SCHEMBL4640298 0.78 SLC6A2 (0.33) TSHR
SCHEMBL27511467 0.78 SLC6A2 (0.33) TSHR
SCHEMBL25224037 0.76 SLC6A2 (0.33)
SCHEMBL7931565 0.76 SLC6A2 (0.33)
SCHEMBL8936214 0.75 TSHR (0.33) TSHR

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
EP-1082287-B1 SLOW RELEASE OF FRAGRANT COMPOUNDS IN PERFUMERY USING 2-BENZOYL BENZOATES, 2-ALKANOYL BENZOATES OR ALPHA-KETO ESTERS FIRMENICH & CIE (CH) 2004-03-17 EP disclosed
US-6492323-B2 CONTROLLED RELEASE UPON EXPOSURE TO LIGHT FIRMENICH SA (CH) 2002-12-10 US disclosed
US-20010014661-A1 Slow release of fragrant compounds in perfumery using alpha-keto esters FIRMENICH SA (CH) 2001-08-16 US disclosed
US-6218355-B1 FOR RELEASING FRAGRANT COMPOUND OR COMPOUNDS IN A CONTROLLED MANNER, MAINTAINING A DESIRED SMELL OVER A PROLONGED PERIOD OF TIME FIRMENICH SA (CH) 2001-04-17 US disclosed
EP-1082287-A2 SLOW RELEASE OF FRAGRANT COMPOUNDS IN PERFUMERY USING 2-BENZOYL BENZOATES, 2-ALKANOYL BENZOATES OR ALPHA-KETO ESTERS FIRMENICH SA (CH) 2001-03-14 EP disclosed
WO-1999060990-A2 SLOW RELEASE OF FRAGRANT COMPOUNDS IN PERFUMERY USING 2-BENZOYL BENZOATES, 2-ALKANOYL BENZOATES OR α-KETO ESTERS FIRMENICH S.A. (CH) 1999-12-02 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-20010014661-A1 Slow release of fragrant compounds in perfumery using alpha-keto esters FAAH, KHK, FAAH2 TSHR 4049/4885KDM4E 2045/4885ALDH1A1 122/4885

“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.