SCHEMBL6818800

SCHEMBL6818800

CCCC(C)Oc1ccccc1-c1cc(C(=O)OCC)no1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
THRB P10828 1/20 0.51
ALDH1A1 P00352 6/20 0.48
HPGD P15428 4/20 0.48
RAB9A P51151 4/20 0.48
KDM4E B2RXH2 4/20 0.48
NPC1 O15118 3/20 0.48
CNR2 P34972 6/20 0.48
HSD17B10 Q99714 5/20 0.47
ALOX15 P16050 1/20 0.47
NPSR1 Q6W5P4 2/20 0.44
ACR P10323 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42

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
SCHEMBL6818234 0.89 MAPT (0.54) MAPTTHRBALDH1A1HPGDRAB9A
SCHEMBL6821883 0.88 KDM4E (0.55) MAPTTHRBALDH1A1HPGDRAB9A
SCHEMBL6818450 0.87 ALDH1A1 (0.51) MAPTTHRBALDH1A1HPGDRAB9A
SCHEMBL6818276 0.86 MAPT (0.57) MAPTTHRBALDH1A1HPGDRAB9A
SCHEMBL7072562 0.84 MAPT (0.53) MAPTTHRBALDH1A1HPGDRAB9A
SCHEMBL22619918 0.82 RAB9A (0.67) MAPTTHRBALDH1A1HPGDRAB9A
SCHEMBL6818513 0.82 MAPT (0.54) MAPTTHRBALDH1A1HPGDRAB9A
SCHEMBL6818861 0.81 CNR2 (0.52) MAPTTHRBALDH1A1HPGDRAB9A
SCHEMBL6818280 0.80 CNR2 (0.66) MAPTTHRBALDH1A1HPGDRAB9A
SCHEMBL6819086 0.79 CNR2 (0.64) MAPTTHRBALDH1A1HPGDRAB9A

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 MAPT 4759/4885THRB 4330/4885ALDH1A1 170/4885

“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.