SCHEMBL721669

SCHEMBL721669

CC(O)SCCSC(C)O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL11135357 0.86 EPHX1 (0.38) ALDH1A1LMNATSHRTDP1
SCHEMBL7143847 0.83
SCHEMBL5167670 0.83
SCHEMBL10607108 0.83 EPHX1 (0.41) TSHRTDP1
SCHEMBL8083960 0.81
SCHEMBL6712785 0.81
SCHEMBL15593881 0.81
SCHEMBL27182025 0.81 TDP1 (0.50) TDP1
SCHEMBL5167208 0.78
SCHEMBL17297118 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104704097-B Flavor and fragrance formulation (IV) 帝斯曼知识产权资产管理有限公司 2021-03-09 CN disclosed
EP-2904080-B1 FLAVOR AND FRAGRANCE FORMULATION (I) DSM IP ASSETS BV (NL) 2018-12-12 EP disclosed
EP-2904077-B1 FLAVOR AND FRAGRANCE FORMULATION (IV) DSM IP ASSETS BV (NL) 2018-08-22 EP disclosed
US-20150307439-A1 FLAVOR AND FRAGRANCE FORMULATION (I) DSM IP ASSETS B.V. (NL) 2015-10-29 US disclosed
EP-2904080-A2 FLAVOR AND FRAGRANCE FORMULATION (I) DSM IP Assets B.V. (NL) 2015-08-12 EP disclosed
EP-2904077-A1 FLAVOR AND FRAGRANCE FORMULATION (IV) DSM IP Assets B.V. (NL) 2015-08-12 EP disclosed
US-20150208701-A1 FLAVOR AND FRAGRANCE FORMULATION (IV) DSM IP ASSETS B.V. (NL) 2015-07-30 US disclosed
WO-2014056851-A2 FLAVOR AND FRAGRANCE FORMULATION (I) DSM IP ASSETS B.V. (NL) 2014-04-17 WO disclosed
WO-2014056849-A1 FLAVOR AND FRAGRANCE FORMULATION (IV) DSM IP ASSETS B.V. (NL) 2014-04-17 WO disclosed
US-8546621-B2 Process for the manufacture of 3,7-dimethyl-1-octen-3-ol DSM IP ASSETS B.V. (NL) 2013-10-01 US disclosed
US-20120053353-A1 PROCESS FOR THE MANUFACTURE OF 3,7-DIMETHYL-1-OCTEN-3-OL DSM IP ASSETS B.V. (NL) 2012-03-01 US 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 (2 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-20150208701-A1 FLAVOR AND FRAGRANCE FORMULATION (IV) NISCH, TAS2R5, TAS2R4 ALDH1A1 160/4885LMNA 3647/4885TSHR 4522/4885
US-20150307439-A1 FLAVOR AND FRAGRANCE FORMULATION (I) NISCH, TAS2R5, FDFT1 ALDH1A1 97/4885LMNA 3428/4885TSHR 4622/4885

“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.