SCHEMBL3553083

SCHEMBL3553083

CC(C)(C)OC(=O)Cn1c(C=CC(=O)O)cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NR1H2 P55055 7/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NR1H3 Q13133 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CACNA1B Q00975 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
TP53 P04637 1/20 0.36
PLA2G10 O15496 1/20 0.36
CCR2 P41597 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
SCHEMBL3553079 1.00 KDM4E (0.46) KDM4EALDH1A1NR1H2L3MBTL1NR1H3
SCHEMBL2239999 0.86 KDM4E (0.42) KDM4EALDH1A1NR1H2L3MBTL1KMT2A
SCHEMBL17907928 0.86 CACNA1B (0.44) KDM4EALDH1A1NR1H2L3MBTL1KMT2A
SCHEMBL17907997 0.86 CACNA1B (0.40) KDM4EALDH1A1NR1H2CACNA1BCCR2
SCHEMBL17907996 0.86 CACNA1B (0.40) KDM4EALDH1A1NR1H2CACNA1BCCR2
SCHEMBL17907927 0.86 CACNA1B (0.44) KDM4EALDH1A1NR1H2L3MBTL1KMT2A
SCHEMBL17907945 0.86 ALDH1A1 (0.37) KDM4EALDH1A1KMT2AMEN1CACNA1B
SCHEMBL17907944 0.86 ALDH1A1 (0.37) KDM4EALDH1A1KMT2AMEN1CACNA1B
SCHEMBL17907951 0.85 TDP1 (0.41) KDM4EALDH1A1CACNA1BTP53CCR2
SCHEMBL17907937 0.85 CCR9 (0.42) KDM4EALDH1A1CACNA1BCCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697223-B1 7-(HETEROARYL-AMINO)-6,7,8,9-TETRAHYDROPYRIDO[1,2-A]INDOL ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2016-07-13 EP disclosed
US-9096595-B2 7-(heteroaryl-amino)-6,7,8,9-tetrahydropyrido[1,2-a]indol acetic acid derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD (CH) 2015-08-04 US disclosed
EP-2697223-A1 7-(HETEROARYL-AMINO)-6,7,8,9-TETRAHYDROPYRIDO[1,2-A]INDOL ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2014-02-19 EP disclosed
US-20140045870-A1 7-(Heteroaryl-Amino)-6,7,8,9-Tetrahydropyrido[1,2-A]Indol Acetic Acid Derivatives and Their Use as Prostaglandin D2 Receptor Modulators ACTELION PHARMACEUTICALS LTD. (CH) 2014-02-13 US disclosed
US-8637541-B2 Indole derivatives as CRTH2 receptor antagonists MERCK CANADA INC. (CA) 2014-01-28 US disclosed
EP-1915372-B1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK CANADA INC (CA) 2013-11-20 EP disclosed
WO-2012140612-A1 7-(HETEROARYL-AMINO)-6,7,8,9-TETRAHYDROPYRIDO[1,2-A]INDOL ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2012-10-18 WO disclosed
US-7696222-B2 Indole derivatives as CRTH2 receptor antagonists MERCK FROSST CANADA LTD (CA) 2010-04-13 US disclosed
US-20090286825-A1 Indole derivatives as crth2 receptor antagonists MERCK CANADA INC. (CA) 2009-11-19 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 (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-20140045870-A1 7-(Heteroaryl-Amino)-6,7,8,9-Tetrahydropyrido[1,2-A]Indol Acetic Acid Derivatives and Their Use as Prostaglandin D2 Receptor Modulators PTGDR, PTGDR2, PTGER1 KDM4E 4679/4885ALDH1A1 299/4885NR1H2 212/4885
US-20090286825-A1 Indole derivatives as crth2 receptor antagonists MC2R, HRH2, PTGDR KDM4E 4456/4885ALDH1A1 766/4885NR1H2 77/4885

“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.