SCHEMBL25543

SCHEMBL25543

CC(=O)OC(CC(C)C)C1CC=CCC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PRSS1 P07477 1/20 0.31
CTSG P08311 1/20 0.31
CTRB1 P17538 1/20 0.31
CMA1 P23946 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
SCHEMBL8610758 0.84 TSHR (0.32) TSHRKDM4EALDH1A1TDP1PRSS1
SCHEMBL8610763 0.84 TSHR (0.32) TSHRKDM4EALDH1A1TDP1PRSS1
SCHEMBL8444186 0.77 TSHR (0.37) TSHRKDM4EALDH1A1TDP1PRSS1
SCHEMBL8611814 0.74 PRSS1 (0.31) PRSS1CTSGCTRB1CMA1
SCHEMBL23725 0.71 TSHR (0.31) TSHRPRSS1CTSGCTRB1CMA1
SCHEMBL7231832 0.70 PRSS1 (0.34) TSHRKDM4EALDH1A1TDP1PRSS1
SCHEMBL18759573 0.67 PRSS1 (0.34) TSHRKDM4EALDH1A1TDP1PRSS1
SCHEMBL9183927 0.66 ALDH1A1 (0.35) TSHRKDM4EALDH1A1TDP1PRSS1
SCHEMBL7225298 0.66 PRSS1 (0.33) TSHRALDH1A1PRSS1CTSGCTRB1
SCHEMBL11566611 0.66 PRSS1 (0.31) KDM4EPRSS1CTSGCTRB1CMA1

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
EP-2609184-B1 PERFUMERY COMPOSITIONS AND SYNTHESIS OF A ODORANT VAZE KEDAR RAMESH (IN) 2017-02-15 EP claimed
EP-2609184-A1 SYNTHESIS OF A NOVEL ODORANT Vaze, Kedar Ramesh (IN) 2013-07-03 EP claimed
US-20130157923-A1 SYNTHESIS OF A NOVEL ODORANT VAZE KEDAR RAMESH (IN) 2013-06-20 US claimed
WO-2012025934-A1 SYNTHESIS OF A NOVEL ODORANT VAZE KEDAR RAMESH (IN) 2012-03-01 WO claimed
US-9845443-B2 Synthesis of a novel odorant VAZE KEDAR RAMESH (IN) 2017-12-19 US disclosed
EP-2609184-B1 PERFUMERY COMPOSITIONS AND SYNTHESIS OF A ODORANT VAZE KEDAR RAMESH (IN) 2017-02-15 EP disclosed
US-20160024424-A1 SYNTHESIS OF A NOVEL ODORANT VAZE KEDAR RAMESH (IN) 2016-01-28 US disclosed
US-9187709-B2 Synthesis of a novel odorant VAZE KEDAR RAMESH (IN) 2015-11-17 US disclosed
EP-2609184-A1 SYNTHESIS OF A NOVEL ODORANT Vaze, Kedar Ramesh (IN) 2013-07-03 EP disclosed
US-20130157923-A1 SYNTHESIS OF A NOVEL ODORANT VAZE KEDAR RAMESH (IN) 2013-06-20 US disclosed
WO-2012025934-A1 SYNTHESIS OF A NOVEL ODORANT VAZE KEDAR RAMESH (IN) 2012-03-01 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-20160024424-A1 SYNTHESIS OF A NOVEL ODORANT OR10J3, OR51E2, TAS2R10 TSHR 2046/4885KDM4E 864/4885ALDH1A1 1280/4885

“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.