SCHEMBL503612

SCHEMBL503612

CC(C)Oc1ccc(Oc2ccc3c(c2)c(C(=O)O)c(CC(=O)O)n3-c2ccc(OCc3ccc(Cl)nc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MDM2 Q00987 3/20 0.38
MCL1 Q07820 3/20 0.36
PTGES O14684 2/20 0.36
USP14 P54578 1/20 0.36
TERT O14746 2/20 0.35
EDNRA P25101 1/20 0.35
AGTR1 P30556 1/20 0.35
SLC26A4 O43511 1/20 0.35
PLA2G4A P47712 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
BCL2 P10415 1/20 0.34

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
SCHEMBL503625 0.91 USP14 (0.44) ALDH1A1KMT2AMEN1MDM2PTGES
SCHEMBL504142 0.89 MEN1 (0.44) KMT2AMEN1MDM2PTGESUSP14
SCHEMBL503475 0.88 KMT2A (0.43) KMT2AMEN1MDM2MCL1PTGES
SCHEMBL503871 0.88 MEN1 (0.48) NPC1RAB9AKMT2AMEN1MDM2
SCHEMBL503499 0.88 MDM2 (0.45) KMT2AMEN1MDM2MCL1USP14
SCHEMBL503554 0.86 MEN1 (0.45) KMT2AMEN1MDM2PTGESUSP14
SCHEMBL503872 0.85 USP14 (0.48) ALDH1A1RAB9AKMT2AMEN1PTGES
SCHEMBL503558 0.84 MEN1 (0.44) NPC1RAB9AKMT2AMEN1MDM2
SCHEMBL1407633 0.83 ACACB (0.38) KMT2AMEN1PTGESAGTR1PLA2G4A
SCHEMBL334235 0.83 BCL2 (0.42) ALDH1A1KMT2AMEN1MDM2MCL1

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-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
WO-2010076566-A2 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2010-07-08 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-20120029016-A1 Indoles Useful in the Treatment of Inflammation LTC4S, LTB4R2, LTB4R NPC1 2440/4885ALDH1A1 816/4885RAB9A 3101/4885

“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.