SCHEMBL333886

SCHEMBL333886

CC(C)Oc1ccc(-n2c(-c3ccc(C(=O)O)cc3)c(C(=O)O)c3cc(Oc4cccc(Cl)c4)ccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
MDM2 Q00987 6/20 0.42
BCL2 P10415 5/20 0.42
MCL1 Q07820 5/20 0.42
KMT2A Q03164 1/20 0.41
USP14 P54578 1/20 0.41
PTGER4 P35408 3/20 0.39
PTGES O14684 1/20 0.39
RXRG P48443 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MGLL Q99685 1/20 0.38
PPARG P37231 1/20 0.38
LPAR1 Q92633 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL27697434 0.92 PTGER4 (0.44) RXRARXRBUSP14PTGER4RXRG
SCHEMBL333553 0.92 USP14 (0.45) RXRARXRBMDM2BCL2MCL1
SCHEMBL334015 0.89 KMT2A (0.43) RXRARXRBMDM2BCL2MCL1
SCHEMBL335545 0.89 MDM2 (0.44) MDM2BCL2MCL1KMT2AUSP14
SCHEMBL27717567 0.85 PPARG (0.41) MDM2BCL2MCL1KMT2AUSP14
SCHEMBL333839 0.85 PPARG (0.47) MDM2BCL2MCL1KMT2AUSP14
SCHEMBL333544 0.84 PTGES (0.45) RXRARXRBMDM2BCL2MCL1
SCHEMBL27717578 0.83 USP14 (0.45) RXRARXRBKMT2AUSP14PTGER4
SCHEMBL333497 0.82 USP14 (0.44) MDM2BCL2MCL1KMT2AUSP14
SCHEMBL333958 0.82 KDM4E (0.42) KMT2AUSP14PTGESKDM4EPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097623-B2 1-Aryl-or heteroaryl-3-aryl-or heteroarylindole-2-carboxylic acids or esters: e.g., 5-(4-tert-Butylphenyl)-1,3-bis(4-isopropoxyphenyl)-indole-2-carboxylic acid; inhibition of the activity of microsomal prostaglandin E synthase-1, leukotriene C4 and/or 5-lipoxygenase-activating protein; analgesics BIOLIPOX AB (SE) 2012-01-17 US disclosed
EP-1841735-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2011-03-09 EP disclosed
US-20090076004-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-03-19 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-20090076004-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG RXRA 1910/4885RXRB 2122/4885MDM2 917/4885

“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.