SCHEMBL6406854

SCHEMBL6406854

[CH2]C(=O)OCc1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
RAB9A P51151 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2A6 P11509 1/20 0.46
ALOX5 P09917 1/20 0.45
TACR1 P25103 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
TGM2 P21980 2/20 0.44
NPC1 O15118 2/20 0.43
MAPT P10636 1/20 0.43
NLRP3 Q96P20 1/20 0.43
F13A1 P00488 1/20 0.43
TGM1 P22735 1/20 0.43

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
SCHEMBL28936084 0.85 CYP1A2 (0.54) SLC1A3SLC1A2SLC1A1RAB9ACYP1A2
SCHEMBL6443298 0.84 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1RAB9ACYP1A2
SCHEMBL6443296 0.84 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1RAB9ACYP1A2
SCHEMBL10356778 0.83 RAB9A (0.47) SLC1A3SLC1A2SLC1A1RAB9ACYP1A2
SCHEMBL5215830 0.83 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1RAB9ACYP1A2
SCHEMBL729692 0.82 ALDH1A1 (0.61) SLC1A3SLC1A2SLC1A1RAB9ACYP1A2
SCHEMBL30924172 0.82 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1RAB9ACYP1A2
SCHEMBL1321228 0.82 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1RAB9ACYP1A2
SCHEMBL487508 0.82 ALDH1A1 (0.61) SLC1A3SLC1A2SLC1A1RAB9ACYP1A2
SCHEMBL2001872 0.82 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1RAB9ACYP1A2

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-20050171195-A1 P2X7 antagonists for treating neuropathic pain ABBOTT LABORATORIES 2005-08-04 US claimed
US-20050171195-A1 P2X7 antagonists for treating neuropathic pain ABBOTT LABORATORIES 2005-08-04 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-20050171195-A1 P2X7 antagonists for treating neuropathic pain P2RX3, P2RX7, P2RX1 SLC1A3 392/4885SLC1A2 207/4885SLC1A1 175/4885

“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.