SCHEMBL1824237

SCHEMBL1824237

COC=Cc1cc(OC)ccc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 7/20 0.68
CYP1B1 Q16678 7/20 0.68
CYP1A2 P05177 6/20 0.68
NFE2L2 Q16236 3/20 0.68
JUN P05412 1/20 0.62
NFKB1 P19838 1/20 0.62
CYP19A1 P11511 1/20 0.58
ABCG2 Q9UNQ0 1/20 0.57
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
TLR9 Q9NR96 1/20 0.51
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL1824235 1.00 CYP1A1 (0.68) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL27680848 0.85 CYP1A2 (0.78) CYP1A1CYP1B1CYP1A2NFE2L2CYP19A1
SCHEMBL30831940 0.85 CYP1A2 (0.78) CYP1A1CYP1B1CYP1A2NFE2L2CYP19A1
SCHEMBL11874684 0.84 CYP1A1 (0.79) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL11874692 0.84 CYP1A1 (0.79) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL265496 0.82 CYP1A1 (0.70) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL30474601 0.82 CYP1A1 (0.70) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL14224730 0.82 CYP1A1 (0.70) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL7871043 0.82 CYP1A1 (0.70) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL1044979 0.81 CYP1A1 (0.68) CYP1A1CYP1B1CYP1A2NFE2L2JUN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-15 US disclosed
US-8455658-B2 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-06-04 US disclosed
EP-1373261-B1 CYCLOPROPAHETEROCYCLES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2011-05-04 EP disclosed
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 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 (2 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-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR1, NLRP3, NLRP1 CYP1A1 382/4885CYP1B1 542/4885CYP1A2 911/4885
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses CXCR1, NLRP3, NLRP1 CYP1A1 382/4885CYP1B1 542/4885CYP1A2 911/4885

“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.