SCHEMBL6833874

SCHEMBL6833874

C[C@@H]1CCC[C@@H]1Oc1ccccc1-c1cc(C(=O)O)no1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.50
NPC1 O15118 7/20 0.50
CNR2 P34972 6/20 0.48
ALDH1A1 P00352 7/20 0.47
HPGD P15428 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 3/20 0.46
FAAH O00519 3/20 0.45
MAPT P10636 2/20 0.43
HSD17B10 Q99714 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
SCD5 Q86SK9 1/20 0.43
ALOX15 P16050 1/20 0.43
SCN9A Q15858 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 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
SCHEMBL6834082 0.86 CNR2 (0.48) RAB9ANPC1CNR2ALDH1A1HPGD
SCHEMBL6819033 0.84 NPC1 (0.52) RAB9ANPC1CNR2ALDH1A1HPGD
SCHEMBL6833742 0.80 HSD17B10 (0.44) RAB9ANPC1CNR2ALDH1A1HPGD
SCHEMBL6822340 0.78 NPC1 (0.51) RAB9ANPC1CNR2ALDH1A1HPGD
SCHEMBL6818630 0.77 CNR2 (0.54) RAB9ANPC1CNR2ALDH1A1HPGD
SCHEMBL1178011 0.76 RAB9A (0.69) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL31039820 0.76 RAB9A (0.69) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL6818987 0.76 NPC1 (0.47) RAB9ANPC1CNR2ALDH1A1HPGD
SCHEMBL6817821 0.75 NPC1 (0.55) RAB9ANPC1CNR2ALDH1A1HPGD
SCHEMBL6821687 0.73 NPC1 (0.57) RAB9ANPC1CNR2ALDH1A1HPGD

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 1 patent. 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

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 RAB9A 4337/4885NPC1 3778/4885CNR2 3495/4885

“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.