SCHEMBL16744083

SCHEMBL16744083

C=C(C)C(=O)OCC1OC(OC)C(O)C(O)C1OC

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ LGALS8 O00214 6/20 0.41
▸ FGF1 P05230 1/20 0.35
▸ THRB P10828 2/20 0.35
▸ G6PD P11413 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ F10 P00742 2/20 0.34
▸ TSHR P16473 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
SCHEMBL17091718 0.88 ALDH1A1 (0.45) ALDH1A1LGALS8G6PD
SCHEMBL15463280 0.87 ALDH1A1 (0.38) ALDH1A1LGALS8THRBCYP2D6HSD17B10
SCHEMBL9610875 0.80 CYP2D6 (0.46) ALDH1A1LGALS8THRBCYP2D6HSD17B10
SCHEMBL9612321 0.80 CYP2D6 (0.46) ALDH1A1LGALS8THRBCYP2D6HSD17B10
SCHEMBL16744076 0.80 LGALS8 (0.38) LGALS8FGF1THRBG6PDCYP2D6
SCHEMBL9610882 0.80 CYP2D6 (0.46) ALDH1A1LGALS8THRBCYP2D6HSD17B10
SCHEMBL15926260 0.80 CYP2D6 (0.46) ALDH1A1LGALS8THRBCYP2D6HSD17B10
SCHEMBL9612324 0.80 CYP2D6 (0.46) ALDH1A1LGALS8THRBCYP2D6HSD17B10
SCHEMBL27016383 0.77 LGALS8 (0.44) LGALS8G6PD
SCHEMBL23380088 0.77 ALDH1A1 (0.38) ALDH1A1LGALS8THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160354504-A1 MALODOR COUNTERACTING COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2016-12-08 — — US disclosed
US-20150147287-A1 LOW VOLATILE REACTIVE MALODOR COUNTERACTIVES AND METHODS OF USE THEREOF INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2015-05-28 — — 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-20160354504-A1 MALODOR COUNTERACTING COMPOSITIONS LPO, MAL2, ME1 ALDH1A1 257/4885LGALS8 805/4885FGF1 3839/4885
US-20150147287-A1 LOW VOLATILE REACTIVE MALODOR COUNTERACTIVES AND METHODS OF USE THEREOF LPO, TYR, MAL2 ALDH1A1 94/4885LGALS8 841/4885FGF1 4742/4885

“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.

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