SCHEMBL14200080

SCHEMBL14200080

CC(C)c1cccc(-c2ccc3c(c2)OCO3)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.55
GABRB2 P47870 1/20 0.55
PTPRC P08575 1/20 0.49
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
PTGS2 P35354 1/20 0.46
TAAR1 Q96RJ0 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
POLB P06746 2/20 0.44

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
SCHEMBL18589838 0.84 CA12 (0.51) GABRA1GABRB2PTPRCTAAR1SLC6A2
SCHEMBL29629010 0.82 PTGS2 (0.58) GABRA1GABRB2PTPRCPTGS2GAA
SCHEMBL2692579 0.82 CA12 (0.59) GABRA1GABRB2PTPRCPTGS2GAA
SCHEMBL70200 0.80 MEN1 (0.55) PTGS2TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL5352034 0.78 RXRA (0.62) RXRARXRBRXRGSMN1; SMN2MAPT
SCHEMBL13376227 0.77 GAA (0.67) GABRA1GABRB2PTPRCPTGS2GAA
SCHEMBL6202809 0.77 GABRA1 (0.49) GABRA1GABRB2PTPRCPTGS2NPC1
SCHEMBL24380243 0.76 CALM1 (0.61) TAAR1SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL16629591 0.76 TAAR1 (0.56) GABRA1GABRB2PTPRCPTGS2TAAR1
SCHEMBL404584 0.76 PTGS2 (0.66) PTPRCPTGS2NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365488-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-11-16 US disclosed
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 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 (2 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-20230365488-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF FABP5, FABP1, FABP4 GABRA1 698/4885GABRB2 686/4885PTPRC 266/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 GABRA1 699/4885GABRB2 772/4885PTPRC 2817/4885

“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.