SCHEMBL10136962

SCHEMBL10136962

CC1(CO)COB(c2ccccc2)OC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
BUB1 O43683 1/20 0.31
P4HB P07237 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
SCHEMBL17732004 0.83 EPHX1 (0.39) EPHX1LPLLIPG
SCHEMBL2274567 0.79 LPL (0.42) LPLLIPGP4HB
SCHEMBL16900714 0.76 CYP1A2 (0.39) ALDH1A1LMNA
SCHEMBL5238342 0.75 MAPK1 (0.41) LPLLIPGTDP1LMNAP4HB
SCHEMBL18467899 0.72 LPL (0.44) LPLLIPGP4HB
SCHEMBL19905011 0.72 LPL (0.44) LPLLIPGP4HB
SCHEMBL17320886 0.71 EPHX1 (0.38) EPHX1
SCHEMBL5529616 0.71 LPL (0.34) LPLLIPGP4HB
SCHEMBL6239259 0.69 EPHX1 (0.59) EPHX1
SCHEMBL27921959 0.69 LIPG (0.50) LPLLIPGP4HB

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-8207337-B2 Reagent for organic synthesis reaction containing organic triol borate salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-26 US disclosed
US-8207337-B2 Reagent for organic synthesis reaction containing organic triol borate salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-26 US disclosed
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-08 US disclosed
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-08 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-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT ORC3, OXSR1, OSTC EPHX1 4304/4885LPL 3426/4885LIPG 4397/4885

“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.