SCHEMBL5595457

SCHEMBL5595457

CC(C(=O)c1ccccc1)C(O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
CES2 O00748 1/20 0.61
CES1 P23141 1/20 0.61
ALDH1A1 P00352 7/20 0.57
NPSR1 Q6W5P4 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CYP3A4 P08684 3/20 0.53
ADRA2C P18825 2/20 0.53
TSHR P16473 2/20 0.53
CYP2C19 P33261 2/20 0.53
CHRM2 P08172 1/20 0.53
ADRA1A P35348 1/20 0.53
RGS12 O14924 1/20 0.53
GLA P06280 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
PKM P14618 1/20 0.53
ALOX15 P16050 1/20 0.53

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
SCHEMBL13039632 0.84 LMNA (0.56) LMNACES2CES1ALDH1A1NPSR1
SCHEMBL28441543 0.83 LMNA (0.57) LMNACES2CES1ALDH1A1NPSR1
SCHEMBL5596165 0.83 UGT2B7 (0.54) LMNACES2CES1ALDH1A1NPSR1
SCHEMBL8209874 0.83 LMNA (0.56) LMNAALDH1A1NPSR1TDP1CYP3A4
SCHEMBL8001841 0.83 LMNA (0.56) LMNAALDH1A1NPSR1TDP1CYP3A4
SCHEMBL17702817 0.83 LMNA (0.56) LMNAALDH1A1NPSR1TDP1CYP3A4
SCHEMBL28229063 0.83 LMNA (0.56) LMNAALDH1A1NPSR1TDP1CYP3A4
SCHEMBL12265956 0.83 LMNA (0.56) LMNAALDH1A1NPSR1TDP1CYP3A4
SCHEMBL12313665 0.83 LMNA (0.56) LMNAALDH1A1NPSR1TDP1CYP3A4
SCHEMBL8001842 0.83 LMNA (0.56) LMNAALDH1A1NPSR1TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1153657-B1 METHOD OF IDENTIFYING AN AQUEOUS SYSTEM LEWIS ACID CATALYST FOR THE ALDOL REACTION. JAPAN SCIENCE & TECH AGENCY (JP) 2009-09-09 EP disclosed
EP-1375464-B1 METHOD FOR ALDOL REACTION IN WATER JAPAN SCIENCE & TECH AGENCY (JP) 2009-03-04 EP disclosed
US-7323603-B2 Reacting an aldehyde with a silyl enol ether in an aqueous medium in the presence of a boronic acid, a surfactant, and a Bronsted acid JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2008-01-29 US disclosed
US-7323603-B2 Reacting an aldehyde with a silyl enol ether in an aqueous medium in the presence of a boronic acid, a surfactant, and a Bronsted acid JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2008-01-29 US disclosed
US-20070238902-A1 Method for Performing Aldol Reaction in Water JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-10-11 US disclosed
US-20070238902-A1 Method for Performing Aldol Reaction in Water JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-10-11 US disclosed
EP-1203616-B1 CHIRAL LEAD CATALYST AND METHOD OF ASYMMETRIC ALDOL REACTION JAPAN SCIENCE & TECH AGENCY (JP) 2007-01-10 EP disclosed
US-6780812-B2 SUCH AS LEAD TRIFLATE AND A CHIRAL CROWN ETHER COMPOUND JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2004-08-24 US disclosed
US-20040087437-A1 CHIRAL LEAD CATALYST AND METHOD OF ASYMMETRIC ALDOL REACTION JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2004-05-06 US disclosed
EP-1203616-A1 CHIRAL LEAD CATALYST AND METHOD OF ASYMMETRIC ALDOL REACTION Japan Science and Technology Corporation (JP) 2002-05-08 EP disclosed
EP-0386650-A2 Aqueous disperse systems of photoinitiators and their use LAMBERTI S.p.A. (IT) 1990-09-12 EP 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-20070238902-A1 Method for Performing Aldol Reaction in Water AKR1C3, ADH1C, ADH5 LMNA 1985/4885CES2 1241/4885CES1 1034/4885

“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.