SCHEMBL3395276

SCHEMBL3395276

C=CCN(C(=O)OC(C)(C)C)c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
MIF P14174 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ESR1 P03372 2/20 0.37
RAB9A P51151 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
GSTO1 P78417 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ESR2 Q92731 1/20 0.33
ALOX5 P09917 1/20 0.32
MT-CO2 P00403 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK4 Q16654 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
SCHEMBL11498385 0.85 TSHR (0.43) TSHRL3MBTL1RAB9AKDM4ENPC1
SCHEMBL7643212 0.82 EGFR (0.40) TSHRL3MBTL1RAB9AKDM4ENPC1
SCHEMBL3894800 0.81 TSHR (0.42) TSHRMIFESR1RAB9AKDM4E
SCHEMBL8666254 0.81 CYP4F2 (0.41) TSHRL3MBTL1RAB9ANPC1MAPT
SCHEMBL3160825 0.81 TSHR (0.37) TSHRL3MBTL1RAB9AKDM4ENPC1
SCHEMBL895556 0.79 MLYCD (0.39) MIFESR1ESR2
SCHEMBL31679532 0.79 SMN1; SMN2 (0.43) TSHRL3MBTL1RAB9ANPSR1KDM4E
SCHEMBL5879111 0.78 S1PR1 (0.35) TSHRL3MBTL1RAB9AGSTO1HDAC6
SCHEMBL10326109 0.78 TSHR (0.46) TSHRL3MBTL1ESR1KDM4EMAPT
SCHEMBL1826174 0.78 MLYCD (0.44) MIFRAB9ACTSSCTSKKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303503-B1 ANILINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-01-27 EP disclosed
US-6683201-B2 FOR THERAPY AND PROPHYLAXIS OF HYPERCHOLESTEROLEMIA, HYPERLIPEMIA, ARTERIOSCLEROSIS, VASCULAR DISEASES, MYCOSES, PARASITE INFECTIONS, GALLSTONES, TUMORS AND/OR HYPERPROLIFERATIVE DISORDERS, DIABETES HOFFMANN-LA ROCHE INC. 2004-01-27 US disclosed
EP-1303503-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-20020038025-A1 Analine derivatives as OSC inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-03-28 US disclosed
WO-2002006189-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 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 (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-20020038025-A1 Analine derivatives as OSC inhibitors LSS, CYP51A1, CYP46A1 TSHR 4065/4885MIF 2694/4885L3MBTL1 1316/4885

“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.