SCHEMBL4764285

SCHEMBL4764285

CCn1c(C(=O)O)c(-c2ccccc2)c2cc(OC)c(OC)cc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 7/20 0.53
EDNRA P25101 6/20 0.53
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ATM Q13315 1/20 0.47
THRB P10828 1/20 0.43
KDM4E B2RXH2 2/20 0.43
RCE1 Q9Y256 1/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
PDE10A Q9Y233 1/20 0.41
MAPT P10636 1/20 0.41
SERPINE1 P05121 1/20 0.41
MAPK8 P45983 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL4766620 0.90 EDNRB (0.51) EDNRBEDNRAKMT2AMEN1ATM
SCHEMBL4591747 0.83 EDNRB (0.61) EDNRBEDNRATSHRMAPTSERPINE1
SCHEMBL4592011 0.83 EDNRB (0.52) EDNRBEDNRAKMT2AMEN1KDM4E
SCHEMBL4591054 0.81 EDNRA (0.52) EDNRBEDNRA
SCHEMBL4591686 0.80 EDNRB (0.51) EDNRBEDNRAMAPTTP53
SCHEMBL4592327 0.79 EDNRA (0.50) EDNRBEDNRA
SCHEMBL4592550 0.78 KMT2A (0.50) EDNRBEDNRAKMT2AKDM4EALDH1A1
SCHEMBL4591811 0.78 EDNRB (0.49) EDNRBEDNRAKMT2AKDM4EALDH1A1
SCHEMBL9438048 0.78 EDNRA (0.52) EDNRBEDNRAKMT2AATMKDM4E
SCHEMBL9318678 0.77 MEN1 (0.44) EDNRBEDNRAKMT2AMEN1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation DIACOVO THOMAS G 2008-11-20 US claimed
EP-1885356-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2008-02-13 EP claimed
WO-2006089106-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2006-08-24 WO claimed
US-7074814-B2 3-substituted indoles and derivatives thereof as therapeutic agents WARNER-LAMBERT COMPANY LLC (US) 2006-07-11 US claimed
EP-1644360-A1 3-SUBSTITUTED INDOLES AND DERIVATIVES THEREOF AS THERAPEUTIC AGENTS Warner-Lambert Company LLC (US) 2006-04-12 EP claimed
US-20050004195-A1 3-Substituted indoles and derivatives thereof as therapeutic agents PARA KIMBERLY SUZANNE (US) 2005-01-06 US claimed
WO-2004108708-A1 3-SUBSTITUTED INDOLES AND DERIVATIVES THEREOF AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 WO claimed
US-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation DIACOVO THOMAS G 2008-11-20 US disclosed
EP-1885356-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2008-02-13 EP disclosed
WO-2006089106-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2006-08-24 WO disclosed
US-7074814-B2 3-substituted indoles and derivatives thereof as therapeutic agents WARNER-LAMBERT COMPANY LLC (US) 2006-07-11 US disclosed
EP-1644360-A1 3-SUBSTITUTED INDOLES AND DERIVATIVES THEREOF AS THERAPEUTIC AGENTS Warner-Lambert Company LLC (US) 2006-04-12 EP disclosed
US-20050004195-A1 3-Substituted indoles and derivatives thereof as therapeutic agents PARA KIMBERLY SUZANNE (US) 2005-01-06 US disclosed
WO-2004108708-A1 3-SUBSTITUTED INDOLES AND DERIVATIVES THEREOF AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 WO 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-20050004195-A1 3-Substituted indoles and derivatives thereof as therapeutic agents IDO1, TPH1, IDO2 EDNRB 500/4885EDNRA 157/4885KMT2A 2610/4885
US-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation PI4KB, PIK3CA, PI4KA EDNRB 1628/4885EDNRA 1595/4885KMT2A 3296/4885

“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.