SCHEMBL16077692

SCHEMBL16077692

CCCCCCCCCCCCCCCCOc1ccc(C(=O)O)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.74
TSHR P16473 2/20 0.72
THRA P10827 1/20 0.68
THRB P10828 1/20 0.68
SMPD1 P17405 4/20 0.67
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA4 P22748 1/20 0.65
CA6 P23280 1/20 0.65
CA7 P43166 1/20 0.65
TPMT P51580 1/20 0.65
CA9 Q16790 1/20 0.65
CA14 Q9ULX7 1/20 0.65
ALDH1A1 P00352 1/20 0.64
HPGD P15428 1/20 0.64
PTPN11 Q06124 1/20 0.63
TP53 P04637 1/20 0.60

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
SCHEMBL29171434 1.00 PLA2G4B (0.74) PLA2G4BTSHRTHRATHRBSMPD1
SCHEMBL7273205 1.00 PLA2G4B (0.74) PLA2G4BTSHRTHRATHRBSMPD1
SCHEMBL29171441 1.00 PLA2G4B (0.74) PLA2G4BTSHRTHRATHRBSMPD1
SCHEMBL29171422 1.00 PLA2G4B (0.74) PLA2G4BTSHRTHRATHRBSMPD1
SCHEMBL2312195 1.00 PLA2G4B (0.74) PLA2G4BTSHRTHRATHRBSMPD1
SCHEMBL18682279 1.00 PLA2G4B (0.74) PLA2G4BTSHRTHRATHRBSMPD1
SCHEMBL9307551 1.00 PLA2G4B (0.74) PLA2G4BTSHRTHRATHRBSMPD1
SCHEMBL2329752 0.98 TSHR (0.74) PLA2G4BTSHRTHRATHRBSMPD1
Ethylene Glycol SCHEMBL11237315 0.96 PLA2G4B (0.70) PLA2G4BTSHRTHRATHRBSMPD1
SCHEMBL1750327 0.95 TSHR (0.74) PLA2G4BTSHRTHRATHRBSMPD1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117550979-B Vanillic acid derivative and preparation method and application thereof 广西师范大学 2025-03-11 CN disclosed
CN-117550979-A Vanillic acid derivative and preparation method and application thereof 广西师范大学 2024-02-13 CN disclosed
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
US-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 US disclosed
US-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 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-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS ALDOA, DERA, TALDO1 PLA2G4B 3056/4885TSHR 4628/4885THRA 3605/4885

“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.