SCHEMBL16482108

SCHEMBL16482108

CCC(C)(CCC=C(C)C)OC=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.40
TSHR P16473 2/20 0.34
GGPS1 O95749 7/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HIF1A Q16665 3/20 0.32
EPAS1 Q99814 3/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
LMNA P02545 1/20 0.31
CYP3A4 P08684 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
SCHEMBL16481923 0.83 ALOX15 (0.34) ALOX15GGPS1FNTAFNTB
SCHEMBL17058709 0.79 ALOX15 (0.44) ALOX15TSHRTDP1ALDH1A1HIF1A
SCHEMBL3749023 0.78 ALOX15 (0.45) ALOX15TSHRALDH1A1HIF1AEPAS1
SCHEMBL4570351 0.76 TDP1 (0.39) TDP1
SCHEMBL214610 0.76 ALOX15 (0.36) ALOX15TSHRGGPS1ALDH1A1
SCHEMBL216623 0.76 ALOX15 (0.36) ALOX15TSHRGGPS1ALDH1A1HIF1A
SCHEMBL4675077 0.76 TDP1 (0.42) TDP1
SCHEMBL271288 0.75
SCHEMBL3755104 0.74 ALOX15 (0.40) ALOX15HIF1AEPAS1
SCHEMBL135163 0.73 ALOX15 (0.52) ALOX15TSHRGGPS1TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752862-B2 Pro-fragrance compounds FIRMENICH SA (CH) 2020-08-25 US disclosed
EP-2994447-B1 PRO-FRAGRANCE COMPOUNDS FIRMENICH & CIE (CH) 2020-04-08 EP disclosed
CN-110746277-A Pro-fragrance compounds 弗门尼舍有限公司 2020-02-04 CN disclosed
US-20170283737-A1 PRO-FRAGRANCE COMPOUNDS FIRMENICH SA (CH) 2017-10-05 US disclosed
US-9718753-B2 Pro-fragrance compounds FIRMENICH SA (CH) 2017-08-01 US disclosed
US-20160122271-A1 PRO-FRAGRANCE COMPOUNDS FIRMENICH SA (CH) 2016-05-05 US disclosed
EP-2994447-A1 PRO-FRAGRANCE COMPOUNDS Firmenich SA (CH) 2016-03-16 EP disclosed
WO-2014056848-A1 FLAVOR AND FRAGRANCE FORMULATION (III) DSM IP ASSETS B.V. (NL) 2014-04-17 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 (3 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-10752862-B2 Pro-fragrance compounds ADH5, HRH1, C9 ALOX15 120/4885TSHR 3253/4885GGPS1 2913/4885
US-20160122271-A1 PRO-FRAGRANCE COMPOUNDS HRH1, ADH5, C9 ALOX15 219/4885TSHR 3182/4885GGPS1 2883/4885
US-20170283737-A1 PRO-FRAGRANCE COMPOUNDS ADH5, HRH1, C9 ALOX15 120/4885TSHR 3253/4885GGPS1 2913/4885

“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.