SCHEMBL6818008

SCHEMBL6818008

C#Cc1ccccc1OCc1ccc(OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.55
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
HTR1A P08908 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
PDE2A O00408 1/20 0.48
APP P05067 4/20 0.47
GAA P10253 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
SGMS2 Q8NHU3 1/20 0.45
MAOB P27338 1/20 0.45
BCHE P06276 1/20 0.45
POLB P06746 1/20 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
SCHEMBL31139621 0.83 MAPT (0.53) ABCB1HTR1AADRA1DADRA1AADRA1B
SCHEMBL6161980 0.83 MAPT (0.53) ABCB1HTR1AADRA1DADRA1AADRA1B
SCHEMBL16018989 0.83 ABCB1 (0.68) ABCB1NPC1RAB9AHTR1AADRA1D
SCHEMBL6813969 0.80 NPC1 (0.55) ABCB1NPC1RAB9AHTR1AADRA1D
SCHEMBL22711476 0.79 PDE2A (0.46) ABCB1NPC1RAB9AHTR1AADRA1D
SCHEMBL16019017 0.79 MAPT (0.66) ABCB1NPC1RAB9AHTR1AADRA1D
SCHEMBL31715924 0.78 MAOB (0.54) NPC1RAB9AGAAALDH1A1SGMS2
Lithium SCHEMBL31715835 0.77 MAOB (0.53) NPC1RAB9AGAAALDH1A1SGMS2
SCHEMBL12301149 0.77 ABCB1 (0.60) ABCB1NPC1RAB9AHTR1AADRA1D
SCHEMBL18297720 0.76 MAOB (0.54) GAAALDH1A1LMNAMAOBBCHE

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 ABCB1 1171/4885NPC1 3778/4885RAB9A 4337/4885

“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.