SCHEMBL5643293

SCHEMBL5643293

Cc1[nH]c2ccccc2c1CC(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
KDM4E B2RXH2 5/20 0.65
MAPT P10636 4/20 0.65
GAA P10253 1/20 0.65
CASP1 P29466 1/20 0.65
CASP7 P55210 1/20 0.65
KLK6 Q92876 3/20 0.56
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
KLK7 P49862 1/20 0.53
KLK14 Q9P0G3 1/20 0.53
KLK5 Q9Y337 1/20 0.53
LMNA P02545 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49

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
SCHEMBL20037195 0.95 MAPT (0.59) ALDH1A1KDM4EMAPTGAACASP1
SCHEMBL31487317 0.86 KDM4E (0.68) ALDH1A1KDM4EMAPTGAACASP1
SCHEMBL1165573 0.86 KDM4E (0.68) ALDH1A1KDM4EMAPTGAACASP1
SCHEMBL12571293 0.86 KDM4E (0.55) ALDH1A1KDM4EMAPTGAACASP1
SCHEMBL20037329 0.85 MAPT (0.71) ALDH1A1KDM4EMAPTGAACASP1
SCHEMBL11014056 0.84 AKR1C2 (0.68) ALDH1A1KDM4EMAPTGAAHDAC1
SCHEMBL13802177 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTGAACASP1
SCHEMBL1191332 0.81 KDM4E (0.69) ALDH1A1KDM4EMAPTGAACASP1
SCHEMBL28819182 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTGAACASP1
SCHEMBL20037094 0.81 KDM4E (0.61) ALDH1A1KDM4EMAPTGAACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291644-B2 Indole derivatives ONO PHARMACEUTICALS CO., LTD. (JP) 2007-11-06 US disclosed
US-7291644-B2 Indole derivatives ONO PHARMACEUTICALS CO., LTD. (JP) 2007-11-06 US disclosed
US-7291644-B2 Indole derivatives ONO PHARMACEUTICALS CO., LTD. (JP) 2007-11-06 US disclosed
US-7135495-B2 Indole derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2006-11-14 US disclosed
US-20060194864-A1 Indole derivatives ONO PHARMACEUTICAL CO., LTD. 2006-08-31 US disclosed
US-7098234-B2 Indole derivatives, process for preparation of the same and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-29 US disclosed
US-20050004097-A1 Indole derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-06 US disclosed
US-20040180885-A1 Indole derivatives, process for preparation of the same and use thereof ONO PHARMACEUTICAL CO., LTD. 2004-09-16 US disclosed
EP-1424335-A1 INDOLE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP disclosed
US-6743793-B2 DP RECEPTOR ANTAGONIST; PROSTAGLANDIN D ONO PHARMACEUTICAL CO., LTD. (JP) 2004-06-01 US disclosed
US-20030176400-A1 Indole derivatives, process for preparation of the same and use thereof ONO PHARMACEUTICALS CO., LTD. (JP) 2003-09-18 US disclosed
EP-1262475-A1 INDOLE DERIVATIVES, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2002-12-04 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 (4 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-20060194864-A1 Indole derivatives IDO1, IDO2, PTGIR ALDH1A1 354/4885KDM4E 3234/4885MAPT 2067/4885
US-20050004097-A1 Indole derivatives IDO1, IDO2, PTGIR ALDH1A1 354/4885KDM4E 3234/4885MAPT 2067/4885
US-20030176400-A1 Indole derivatives, process for preparation of the same and use thereof IDO1, KIT, ITCH ALDH1A1 810/4885KDM4E 2893/4885MAPT 617/4885
US-20040180885-A1 Indole derivatives, process for preparation of the same and use thereof IDO1, KIT, ITCH ALDH1A1 810/4885KDM4E 2893/4885MAPT 617/4885

“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.