SCHEMBL5850993

SCHEMBL5850993

C=CCOC(=O)Cc1cccc2[nH]c(C)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
HSD17B10 Q99714 6/20 0.41
MAPK1 P28482 3/20 0.41
PKM P14618 2/20 0.40
DAO P14920 1/20 0.37
DDO Q99489 1/20 0.37
LMNA P02545 3/20 0.37
ALDH1A1 P00352 6/20 0.37
HPGD P15428 4/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
CYP19A1 P11511 1/20 0.36
GAA P10253 2/20 0.36
CYP1A2 P05177 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
SCHEMBL5851147 0.81 KDM4E (0.47) KDM4EHSD17B10MAPK1LMNAALDH1A1
SCHEMBL5852333 0.80 ALDH1A1 (0.50) KDM4EHSD17B10MAPK1PKMLMNA
SCHEMBL990558 0.77 KDM4E (0.50) KDM4EHSD17B10DAODDOLMNA
SCHEMBL5851498 0.76 APP (0.47) KDM4EHSD17B10MAPK1PKMLMNA
SCHEMBL5851501 0.76 APP (0.47) KDM4EHSD17B10MAPK1PKMLMNA
SCHEMBL28030373 0.74 CYP3A4 (0.56) KDM4EHSD17B10MAPK1PKMLMNA
SCHEMBL5851002 0.74 KDM4E (0.59) KDM4EHSD17B10MAPK1LMNAALDH1A1
SCHEMBL28521498 0.74 TDP1 (0.54) KDM4EPKMLMNAALDH1A1HPGD
SCHEMBL7113446 0.74 CYP3A4 (0.49) KDM4EHSD17B10MAPK1PKMLMNA
SCHEMBL31290664 0.72 CYP3A4 (0.50) KDM4EHSD17B10MAPK1PKMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20040180885-A1 Indole derivatives, process for preparation of the same and use thereof ONO PHARMACEUTICAL CO., LTD. 2004-09-16 US 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 (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-20030176400-A1 Indole derivatives, process for preparation of the same and use thereof IDO1, KIT, ITCH KDM4E 2893/4885HSD17B10 4003/4885MAPK1 1832/4885
US-20040180885-A1 Indole derivatives, process for preparation of the same and use thereof IDO1, KIT, ITCH KDM4E 2893/4885HSD17B10 4003/4885MAPK1 1832/4885

“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.