SCHEMBL503599

SCHEMBL503599

CC(C)Oc1ccc(Oc2ccc3c(c2)c(C(=O)O)c(CC(=O)O)n3-c2ccc(OCc3ccccn3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MDM2 Q00987 2/20 0.39
MCL1 Q07820 2/20 0.38
BCL2 P10415 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 3/20 0.38
USP14 P54578 1/20 0.37
PARP10 Q53GL7 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.36
ALOX5 P09917 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX5AP P20292 1/20 0.36
ADAMTS4 O75173 1/20 0.36
PTGDR Q13258 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL503499 0.90 MDM2 (0.45) MEN1KMT2AMDM2MCL1BCL2
SCHEMBL504279 0.87 CYSLTR1 (0.46) ALOX5
SCHEMBL503558 0.85 MEN1 (0.44) MAOBMEN1KMT2AMDM2KDM4E
SCHEMBL503871 0.85 MEN1 (0.48) MEN1KMT2AMDM2KDM4EMAPT
SCHEMBL503475 0.85 KMT2A (0.43) MEN1KMT2AMDM2MCL1KDM4E
SCHEMBL503625 0.84 USP14 (0.44) MAOBMEN1KMT2AMDM2MAPT
SCHEMBL333231 0.83 MEN1 (0.48) MEN1KMT2AKDM4EMAPTUSP14
SCHEMBL503844 0.83 MAOB (0.41) MAOBMEN1KMT2AMDM2MCL1
SCHEMBL10051930 0.83 MEN1 (0.43) MEN1KMT2ATP53
SCHEMBL503554 0.83 MEN1 (0.45) MAOBMEN1KMT2AMDM2USP14

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-20120029016-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SW) 2012-02-02 US disclosed
US-20120029016-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SW) 2012-02-02 US disclosed
US-20120029016-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SW) 2012-02-02 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-20120029016-A1 Indoles Useful in the Treatment of Inflammation LTC4S, LTB4R2, LTB4R MAOB 85/4885MEN1 2934/4885KMT2A 1783/4885

“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.