SCHEMBL16744076

SCHEMBL16744076

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS8 O00214 3/20 0.38
▸ FGF1 P05230 2/20 0.35
▸ G6PD P11413 2/20 0.35
▸ TSHR P16473 2/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ PRKCB P05771 1/20 0.33
▸ PRKCA P17252 1/20 0.33
▸ PRKCH P24723 1/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ PRKCE Q02156 1/20 0.33
▸ PRKCQ Q04759 1/20 0.33
▸ PRKCZ Q05513 1/20 0.33
▸ PRKCD Q05655 1/20 0.33
▸ PRKD1 Q15139 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ F10 P00742 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ THRB P10828 1/20 0.32

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
SCHEMBL2964015 0.88 PRKCA (0.42) LGALS8G6PDPRKD3PRKCGPRKCB
SCHEMBL29564847 0.88 PRKCA (0.42) LGALS8G6PDPRKD3PRKCGPRKCB
SCHEMBL2964018 0.88 PRKCA (0.42) LGALS8G6PDPRKD3PRKCGPRKCB
SCHEMBL5263304 0.81 TSHR (0.34) FGF1TSHRPRKD3PRKCGPRKCB
SCHEMBL16744083 0.80 ALDH1A1 (0.43) LGALS8FGF1G6PDTSHRF10
SCHEMBL7148875 0.76 LGALS8 (0.40) LGALS8FGF1G6PD
SCHEMBL7148865 0.76 LGALS8 (0.40) LGALS8FGF1G6PD
SCHEMBL13310874 0.76 LGALS8 (0.40) LGALS8FGF1G6PD
SCHEMBL7150857 0.76 LGALS8 (0.40) LGALS8FGF1G6PD
SCHEMBL7151858 0.76 LGALS8 (0.40) LGALS8FGF1G6PD

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 LGALS8 805/4885FGF1 3839/4885G6PD 1504/4885
US-20150147287-A1 LOW VOLATILE REACTIVE MALODOR COUNTERACTIVES AND METHODS OF USE THEREOF LPO, TYR, MAL2 LGALS8 841/4885FGF1 4742/4885G6PD 1906/4885

“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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