SCHEMBL15445236

SCHEMBL15445236

C=C1C(OCc2ccccc2)CC2CC1C2(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 6/20 0.39
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
CYP19A1 P11511 4/20 0.36
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDPK1 O15530 1/20 0.34
MTOR P42345 1/20 0.34
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33
BRD4 O60885 1/20 0.33
DPP4 P27487 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL12964746 0.77 TSHR (0.32)
SCHEMBL11513330 0.72
SCHEMBL29699608 0.69 TSHR (0.44) OPRM1OPRL1CYP2C19PDPK1MTOR
SCHEMBL19598518 0.66 OPRM1 (0.41) OPRM1OPRL1MAPTCYP2C19PDPK1
SCHEMBL27260769 0.66 TSHR (0.44) OPRM1OPRL1CYP2C19PDPK1MTOR
SCHEMBL15674250 0.65 OPRM1 (0.40) OPRM1OPRL1CYP19A1PDPK1MTOR
SCHEMBL19580934 0.65 OPRM1 (0.43) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL22341050 0.65 CYP2C19 (0.41) OPRM1OPRL1CYP2C19CTSLCTSB
SCHEMBL11194228 0.65 ALOX15 (0.36) CYP19A1
SCHEMBL22594119 0.64 OPRM1 (0.53) OPRM1OPRL1CTSLCTSBCTSK

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 CXCR3 902/4885OPRM1 83/4885OPRL1 94/4885

“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.