SCHEMBL659012

SCHEMBL659012

CC(=O)OCOC(=O)C(COC(C)=O)(C(=O)O)C(CC(=O)c1ccc2ccccc2c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.41
MGAM O43451 4/20 0.39
GAA P10253 4/20 0.39
SI P14410 4/20 0.39
MGAM2 Q2M2H8 4/20 0.39
HPGD P15428 5/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTPN1 P18031 1/20 0.36
DGAT1 O75907 1/20 0.36
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
PDPK1 O15530 1/20 0.35
ADRB2 P07550 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
SCHEMBL656363 0.93 ALDH1A1 (0.45) GLAMGAMGAASIMGAM2
SCHEMBL657804 0.88 SRD5A2 (0.38) SMN1; SMN2ALDH1A1NPC1KMT2APOLB
SCHEMBL657976 0.88 PDPK1 (0.49) GLAMGAMGAASIMGAM2
SCHEMBL658601 0.86 PDPK1 (0.41) HPGDCYP2C19PDPK1MAPTKMT2A
SCHEMBL657352 0.84 PDPK1 (0.47) SMN1; SMN2PTPN1ALDH1A1CYP1A2CYP2C19
SCHEMBL656175 0.77 KMT2A (0.47) HPGDALDH1A1CYP2C19HSD17B10PDPK1
SCHEMBL657877 0.77 CYP2C9 (0.50) GAAALDH1A1NPC1RAB9ACYP2C19
SCHEMBL657948 0.76 PDPK1 (0.50) GLAMGAMGAASIMGAM2
SCHEMBL658836 0.76 UTS2R (0.39) ALDH1A1CYP2C19PDPK1MAPTKMT2A
SCHEMBL10252937 0.74 L3MBTL1 (0.43) GLAMGAMGAASIMGAM2

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-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB GLA 2734/4885MGAM 2884/4885GAA 2370/4885

“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.