SCHEMBL16865342

SCHEMBL16865342

CCOC(=O)C([C@H](O)/C=C/c1ccc(Cl)cc1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
ALDH1A1 P00352 4/20 0.37
ADORA1 P30542 1/20 0.37
PPARA Q07869 2/20 0.36
ABCB11 O95342 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
PMP22 Q01453 1/20 0.36
MAOB P27338 1/20 0.35
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL16865363 1.00 MAPT (0.37) MAPTALDH1A1ADORA1PPARAABCB11
SCHEMBL16865337 1.00 MAPT (0.37) MAPTALDH1A1ADORA1PPARAABCB11
SCHEMBL16865338 0.91 CTDSP1 (0.35) MAPTALDH1A1PPARACYP1A2CYP3A4
SCHEMBL17080643 0.91 CTDSP1 (0.35) MAPTALDH1A1PPARACYP1A2CYP3A4
SCHEMBL16865359 0.91 CTDSP1 (0.35) MAPTALDH1A1PPARACYP1A2CYP3A4
SCHEMBL16865357 0.89 CTDSP1 (0.43) MAPTALDH1A1NPC1LMNARAB9A
SCHEMBL16865358 0.89 CTDSP1 (0.43) MAPTALDH1A1NPC1LMNARAB9A
SCHEMBL16865361 0.85 PTGS2 (0.40) MAPTALDH1A1MAOBLMNASMN1; SMN2
SCHEMBL16865340 0.81 PPARA (0.38) MAPTALDH1A1ADORA1PPARACYP1A2
SCHEMBL16865331 0.81 PPARA (0.38) MAPTALDH1A1ADORA1PPARACYP1A2

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-9133488-B2 Synthetic methods and compounds related thereto UNIVERSITY OF ALASKA FAIRBANKS (US) 2015-09-15 US disclosed
US-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO UNIVERSITY OF ALASKA FAIRBANKS 2015-07-02 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-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO LSS, CYP51A1, FASN MAPT 3810/4885ALDH1A1 506/4885ADORA1 1428/4885

“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.