SCHEMBL6159693

SCHEMBL6159693

CC(O)C1Oc2ccccc2O1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
KMT2A Q03164 1/20 0.33
PRMT1 Q99873 1/20 0.33
EPHX1 P07099 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2C P18825 1/20 0.32
HIF1A Q16665 1/20 0.32
ALDH1A1 P00352 3/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
LTA4H P09960 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
SCHEMBL3928537 1.00 P2RX4 (0.36) P2RX4LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL692925 0.80 LTA4H (0.37) P2RX4LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL28943133 0.74 CYP2D6 (0.39) P2RX4LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL4553784 0.74 P2RX4 (0.40) P2RX4LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL11001435 0.73 LTA4H (0.37) LMNAMAPTSMN1; SMN2NPSR1KMT2A
SCHEMBL10832911 0.71 LMNA (0.57) LMNAMAPTSMN1; SMN2NPSR1NISCH
SCHEMBL15848585 0.71 MAOA (0.39) P2RX4LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL11329744 0.71 LMNA (0.40) P2RX4LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL13614456 0.71 TAAR1 (0.39) LMNAMAPTSMN1; SMN2NPSR1ADRA2A
SCHEMBL28846451 0.70 ALDH1A1 (0.35) KMT2AKDM4EALDH1A1POLBGAA

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-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2005-02-10 US disclosed
EP-1505156-A1 Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester Consortium für elektrochemische Industrie GmbH (DE) 2005-02-09 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-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters LIPC, LIPE, LIPA P2RX4 4860/4885LMNA 449/4885MAPT 4496/4885

“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.