SCHEMBL1461073

SCHEMBL1461073

CCOC(=O)CCC(=O)N(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
GAA P10253 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
CYP1A2 P05177 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
TRPA1 O75762 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
HSD17B10 Q99714 1/20 0.40
NR1I2 O75469 1/20 0.40
PGR P06401 1/20 0.40

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
SCHEMBL21228838 0.86 ALDH1A1 (0.58) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL29191713 0.85 ALDH1A1 (0.50) ALDH1A1GAAMGAMSIMGAM2
Succinic Acid Diethyl Ester SCHEMBL22780 0.84 GAA (0.67) ALDH1A1GAAMGAMSIMGAM2
Succinic Acid Diethyl Ester SCHEMBL27768067 0.84 GAA (0.67) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL6081987 0.83 GAA (0.54) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL8788095 0.82 ALDH1A1 (0.41) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL8788323 0.82 ALDH1A1 (0.41) ALDH1A1GAAMGAMSIMGAM2
Succinic Acid Diethyl Ester SCHEMBL4324913 0.82 GAA (0.63) ALDH1A1GAAMGAMSIMGAM2
Succinic Acid Diethyl Ester SCHEMBL21815758 0.82 GAA (0.63) ALDH1A1GAAMGAMSIMGAM2
Succinic Acid Diethyl Ester SCHEMBL29494609 0.82 GAA (0.63) ALDH1A1GAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011033307-A1 NILOTINIB DIHYDROCHLORIDE SALT GENERICS [UK] LIMITED (GB) 2011-03-24 WO claimed
US-11834388-B2 Continuous-flow preparation method of diclofenac sodium FUDAN UNIVERSITY (CN) 2023-12-05 US disclosed
US-20230192595-A1 CONTINUOUS-FLOW PREPARATION METHOD OF DICLOFENAC SODIUM FUDAN UNIVERSITY (CN) 2023-06-22 US disclosed
US-9260438-B2 Solid forms of tofacitinib salts APOTEX INC. (CA) 2016-02-16 US disclosed
US-20160024251-A1 THERMORESPONSIVE POLYESTERS THE UNIVERSITY OF AKRON 2016-01-28 US disclosed
US-20150225406-A1 SOLID FORMS OF TOFACITINIB SALTS APOTEX INC. (CA) 2015-08-13 US disclosed
WO-2011033307-A1 NILOTINIB DIHYDROCHLORIDE SALT GENERICS [UK] LIMITED (GB) 2011-03-24 WO 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 (4 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-20230192595-A1 CONTINUOUS-FLOW PREPARATION METHOD OF DICLOFENAC SODIUM SULT2A1, NIT2, CA2 ALDH1A1 139/4885GAA 3119/4885MGAM 3466/4885
US-11834388-B2 Continuous-flow preparation method of diclofenac sodium SULT2A1, NIT2, CA2 ALDH1A1 131/4885GAA 3013/4885MGAM 3266/4885
US-20150225406-A1 SOLID FORMS OF TOFACITINIB SALTS JAK3, JAK2, JAK1 ALDH1A1 4512/4885GAA 3284/4885MGAM 2088/4885
US-20160024251-A1 THERMORESPONSIVE POLYESTERS COASY, CD14, NCAPH ALDH1A1 1850/4885GAA 4062/4885MGAM 2186/4885

“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.