SCHEMBL6818655

SCHEMBL6818655

COCC(C)Oc1ccccc1-c1cc(C(=O)O)no1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.59
KDM4E B2RXH2 6/20 0.59
ALDH1A1 P00352 9/20 0.54
HPGD P15428 8/20 0.54
RAB9A P51151 8/20 0.54
HSD17B10 Q99714 8/20 0.54
NPSR1 Q6W5P4 4/20 0.52
ALOX15 P16050 1/20 0.50
MAPT P10636 8/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 2/20 0.48
THRB P10828 1/20 0.48
CNR2 P34972 1/20 0.47
POLB P06746 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL6821883 0.86 KDM4E (0.55) NPC1KDM4EALDH1A1HPGDRAB9A
SCHEMBL6818450 0.86 ALDH1A1 (0.51) NPC1KDM4EALDH1A1HPGDRAB9A
SCHEMBL6821687 0.85 NPC1 (0.57) NPC1KDM4EALDH1A1HPGDRAB9A
SCHEMBL6818780 0.83 ALDH1A1 (0.55) NPC1KDM4EALDH1A1HPGDRAB9A
SCHEMBL6835889 0.81 HSD17B10 (0.58) NPC1KDM4EALDH1A1HPGDRAB9A
SCHEMBL1178011 0.81 RAB9A (0.69) NPC1KDM4EALDH1A1HPGDRAB9A
SCHEMBL31039820 0.81 RAB9A (0.69) NPC1KDM4EALDH1A1HPGDRAB9A
SCHEMBL6818638 0.79 KDM4E (0.50) NPC1KDM4EALDH1A1HPGDRAB9A
SCHEMBL6815937 0.77 ALDH1A1 (0.59) NPC1KDM4EALDH1A1HPGDRAB9A
SCHEMBL6817821 0.77 NPC1 (0.55) NPC1KDM4EALDH1A1HPGDRAB9A

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 NPC1 3778/4885KDM4E 1240/4885ALDH1A1 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.