SCHEMBL15445238

SCHEMBL15445238

CC1(C)OC(=O)C(OCC2=CCC3CC2C3(C)C)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 8/20 0.46
MAPK1 P28482 2/20 0.45
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
KCNH2 Q12809 1/20 0.41
CXCR3 P49682 9/20 0.40

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
SCHEMBL15451208 0.80 TDP1 (0.44) TDP1MAPK1TSHRKDM4EHTT
SCHEMBL15442583 0.75 KCNH2 (0.55) TDP1MAPK1TSHRKDM4EHTT
SCHEMBL2894649 0.74 KCNH2 (0.54) TDP1MAPK1TSHRKDM4EHTT
SCHEMBL24133211 0.72 MAPK1 (0.48) TDP1MAPK1TSHRKDM4EHTT
SCHEMBL17580644 0.72 MAPK1 (0.48) TDP1MAPK1TSHRKDM4EHTT
SCHEMBL9984711 0.72 TDP1 (0.50) TDP1MAPK1TSHRKDM4EHTT
SCHEMBL17710679 0.72 MAPK1 (0.48) TDP1MAPK1TSHRKDM4EHTT
SCHEMBL9984718 0.72 TDP1 (0.50) TDP1MAPK1TSHRKDM4EHTT
SCHEMBL15445234 0.71 KCNH2 (0.55) TDP1MAPK1TSHRKDM4EHTT
SCHEMBL9984712 0.71 KDM4E (0.49) TDP1MAPK1TSHRKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006168-B2 Odorant composition containing allyl ethers as odorant precursors HENKEL AG & CO., KGAA (DE) 2015-04-14 US disclosed
US-9006168-B2 Odorant composition containing allyl ethers as odorant precursors HENKEL AG & CO., KGAA (DE) 2015-04-14 US disclosed
US-20140030397-A1 ODORANT COMPOSITION CONTAINING ALLYL ETHERS AS ODORANT PRECURSORS HENKEL AG & CO. KGAA (DE) 2014-01-30 US disclosed
US-20140030397-A1 ODORANT COMPOSITION CONTAINING ALLYL ETHERS AS ODORANT PRECURSORS HENKEL AG & CO. KGAA (DE) 2014-01-30 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 (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-20140030397-A1 ODORANT COMPOSITION CONTAINING ALLYL ETHERS AS ODORANT PRECURSORS CHRM5, OR10J3, CHRM3 TDP1 4595/4885MAPK1 2558/4885TSHR 917/4885

“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.