SCHEMBL3566658

SCHEMBL3566658

COc1ccc2[nH]c(C)c(CC(=O)O)c2c1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.53
MTNR1A P48039 2/20 0.53
MTNR1B P49286 2/20 0.53
KDM4E B2RXH2 6/20 0.48
GAA P10253 5/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
CHUK O15111 1/20 0.42
PRKD3 O94806 1/20 0.42
PRKCG P05129 1/20 0.42
PRKCB P05771 1/20 0.42
PRKCA P17252 1/20 0.42

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
SCHEMBL2003508 0.84 AKR1C2 (0.53) AKR1C2MTNR1AMTNR1BKDM4EGAA
SCHEMBL3001361 0.84 AKR1C2 (0.53) AKR1C2MTNR1AMTNR1BKDM4EGAA
SCHEMBL7699710 0.82 AKR1C2 (0.46) AKR1C2MTNR1AMTNR1BKDM4EGAA
SCHEMBL7933092 0.81 KDM4E (0.56) AKR1C2MTNR1AMTNR1BKDM4EGAA
SCHEMBL12255347 0.81 AKR1C2 (0.50) AKR1C2MTNR1AMTNR1BKDM4EGAA
SCHEMBL7693001 0.80 AKR1C2 (0.49) AKR1C2KDM4EGAAMAPTALDH1A1
SCHEMBL6013496 0.80 AKR1C2 (0.49) AKR1C2KDM4EGAAMAPTALDH1A1
SCHEMBL27603211 0.80 SLC2A1 (0.54) AKR1C2MTNR1AMTNR1BKDM4EGAA
SCHEMBL7698626 0.79 GAA (0.49) AKR1C2KDM4EGAAMAPTALDH1A1
SCHEMBL9017484 0.78 AKR1C2 (0.56) AKR1C2KDM4EGAAMAPTALDH1A1

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
EP-1852420-B1 Indole compounds for treating respiratory disorders ONO PHARMACEUTICAL CO (JP) 2012-10-17 EP disclosed
US-7728023-B2 Indole compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080188532-A1 Indole Compound and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-07 US disclosed
EP-1852420-A1 INDOLE COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 EP 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-20080188532-A1 Indole Compound and Use Thereof CYSLTR1, LTC4S, IDO1 AKR1C2 489/4885MTNR1A 191/4885MTNR1B 400/4885

“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.