SCHEMBL333948

SCHEMBL333948

Cc1ccc(C(=O)O)[c]n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
TDP1 Q9NUW8 3/20 0.33
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.32
APEX1 P27695 2/20 0.32
NR4A1 P22736 2/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
APOBEC3A P31941 1/20 0.32
RECQL P46063 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL23796958 0.76 KDM4E (0.44) KDM4EALDH1A1TDP1TSHRALOX15
SCHEMBL11741705 0.75 CYP1A2 (0.44) KDM4EALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL16442455 0.65 TSHR (0.42) KDM4EALDH1A1SMN1; SMN2TDP1TSHR
SCHEMBL11731369 0.64 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2ALOX15MEN1
SCHEMBL13620608 0.64 ALDH1A1 (0.36) KDM4EALDH1A1SMN1; SMN2TDP1TSHR
SCHEMBL333960 0.62
SCHEMBL16267153 0.62 ALDH1A1 (0.44) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3735378 0.61 CSNK2A1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL8647171 0.61 ALDH1A1 (0.33) KDM4EALDH1A1SMN1; SMN2TDP1TSHR
SCHEMBL10735297 0.60 KDM4E (0.46) KDM4EALDH1A1TDP1TSHRALOX15

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 KDM4E 1104/4885ALDH1A1 2276/4885SMN1; SMN2 3963/4885

“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.