SCHEMBL3264734

SCHEMBL3264734

CCCCCC(CC(=O)OCC)OCC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
GPR84 Q9NQS5 7/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
TRPA1 O75762 1/20 0.36
NAAA Q02083 1/20 0.36
DGKA P23743 1/20 0.36
FFAR1 O14842 1/20 0.36
CA1 P00915 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
TLR4 O00206 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL10868834 0.98 ZDHHC7 (0.42) ZDHHC7MGAMGAASIMGAM2
SCHEMBL27906516 0.95 MGAM (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28340643 0.87 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5147261 0.81 LMNA (0.41) ALDH1A1LMNADGKAMAPTMAPK1
SCHEMBL29233725 0.80 ZDHHC7 (0.36) ZDHHC7MGAMGAASIMGAM2
SCHEMBL7749506 0.80 LMNA (0.59) ALDH1A1LMNACYP1A2MAPTMAPK1
SCHEMBL14026282 0.80 GPR84 (0.43) ZDHHC7GPR84FFAR1MAPT
SCHEMBL9019462 0.80 GPR84 (0.56) GPR84LMNAFFAR1CYP1A2MAPT
SCHEMBL9335548 0.80 GPR84 (0.56) GPR84LMNAFFAR1CYP1A2MAPT
SCHEMBL10764656 0.80 ALDH1A1 (0.47) MGAMGAASIMGAM2ALDH1A1

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-7649117-B2 Process of preparing optically active β-hydroxycarboxylic acid derivative NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2010-01-19 US disclosed
US-20090030231-A1 PROCESS OF PREPARING OPTICALLY ACTIVE B-HYDROXYCARBOXYLIC ACID DERIVATIVE NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2009-01-29 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-20090030231-A1 PROCESS OF PREPARING OPTICALLY ACTIVE B-HYDROXYCARBOXYLIC ACID DERIVATIVE KMO, DHPS, KHK ZDHHC7 2699/4885MGAM 3365/4885GAA 3423/4885

“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.