SCHEMBL7074737

SCHEMBL7074737

CCCC(CSc1ccc(OC)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
LDHA P00338 1/20 0.44
PPARG P37231 5/20 0.44
PPARA Q07869 4/20 0.44
ALOX5 P09917 3/20 0.44
SLC6A3 Q01959 2/20 0.43
CHRM1 P11229 1/20 0.43
AKR1A1 P14550 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL6380461 0.89 MTNR1A (0.50) MTNR1AMTNR1BLDHAPPARGPPARA
SCHEMBL7073559 0.85 PDE4B (0.48) MTNR1AMTNR1BLDHAPPARGPPARA
SCHEMBL7080523 0.83 PPARG (0.44) PPARGPPARAALOX5SLC6A3CHRM1
SCHEMBL7075493 0.82 ALDH1A1 (0.43) MTNR1AMTNR1BLDHAPPARGPPARA
SCHEMBL7078743 0.81 GRIK1 (0.48) PPARGPPARAALOX5TDP1NPC1
SCHEMBL6377276 0.80 PLA2G4B (0.41) MTNR1AMTNR1BLDHAPPARGPPARA
SCHEMBL7074193 0.80 PPARG (0.56) LDHAPPARGPPARATDP1
SCHEMBL6378034 0.79 HTT (0.51) MTNR1AMTNR1BALDH1A1CA1CA2
SCHEMBL7077459 0.79 MEN1 (0.46) NPC1TP53ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12264723 0.78 MMP2 (0.49) MTNR1AMTNR1BLDHAPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity OWEN DAVID ALAN (GB) 2003-11-06 US disclosed
US-6566384-B1 For therapy of cancer, inflammation and inflammatory diseases, tissue degeneration, periodontal disease, ophthalmological disease, dermatological disorders, fever, cardiovascular effects, haemorrhage, coagulation and acute phase response DARWIN DISCOVERY LTD. (GB) 2003-05-20 US disclosed
US-6118001-A ANTICANCER AGENT; ANTIARTHRITIC AGENT DARWIN DISCOVERY, LTD. (GB) 2000-09-12 US disclosed
EP-0968182-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2000-01-05 EP disclosed
WO-1998005635-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 1998-02-12 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-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity MMP13, MMP2, MMP9 TAS1R3 3715/4885TAS1R1 3500/4885MTNR1A 1979/4885

“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.