SCHEMBL5864684

SCHEMBL5864684

COC(=O)C1CCC(Br)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 6/20 0.36
CYP1A2 P05177 2/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 1/20 0.32
BRD4 O60885 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
ATM Q13315 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL989622 0.85
SCHEMBL3628762 0.85
SCHEMBL6922015 0.80 TLR4 (0.47) TLR4CYP1A2MAPK1HIF1AKDM4E
SCHEMBL25061 0.77 MAPK1 (0.47) TLR4CYP1A2MAPK1HIF1AKDM4E
SCHEMBL374935 0.77 MAPK1 (0.47) TLR4CYP1A2MAPK1HIF1AKDM4E
SCHEMBL31276435 0.77 MAPK1 (0.47) TLR4CYP1A2MAPK1HIF1AKDM4E
SCHEMBL3171 0.76 MAPK1 (0.54) CYP1A2MAPK1HIF1AKDM4EHSD17B10
SCHEMBL20303983 0.76 MAPK1 (0.54) CYP1A2MAPK1HIF1AKDM4EHSD17B10
SCHEMBL31198171 0.76 MAPK1 (0.46) TLR4CYP1A2MAPK1HIF1AKDM4E
SCHEMBL7305358 0.76 MAPK1 (0.54) CYP1A2MAPK1HIF1AKDM4EHSD17B10

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
US-9475769-B2 Zinc halide mediated cyclization process leading to tricyclic indoles GE HEALTHCARE LIMITED (GB) 2016-10-25 US disclosed
US-20150336891-A1 Zinc Halide Mediated Cyclization Process Leading to Tricyclic Indoles GE HEALTHCARE LIMITED (GB) 2015-11-26 US disclosed
EP-2925723-A1 ZINC HALIDE MEDIATED CYCLIZATION PROCESS LEADING TO TRICYCLIC INDOLES GE Healthcare Limited (GB) 2015-10-07 EP disclosed
WO-2014083163-A1 ZINC HALIDE MEDIATED CYCLIZATION PROCESS LEADING TO TRICYCLIC INDOLES GE HEALTHCARE LIMITED (GB) 2014-06-05 WO disclosed
US-7109231-B2 Cyclohept[b]indole derivatives ELI LILLY AND COMPANY (US) 2006-09-19 US disclosed
EP-1438290-B1 CYCLOHEPT B!INDOLE DERIVATIVES AS SPLA2 INHIBITORS LILLY CO ELI (US) 2005-12-14 EP disclosed
US-20040198801-A1 Cyclohept'b!indole derivatives as spla2 inhibitors KINNICK MICHAEL DEAN (US) 2004-10-07 US disclosed
EP-1438290-A1 CYCLOHEPT B!INDOLE DERIVATIVES AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2004-07-21 EP disclosed
WO-2003016277-A1 CYCLOHEPT`B!INDOLE DERIVATIVES AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2003-02-27 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-20150336891-A1 Zinc Halide Mediated Cyclization Process Leading to Tricyclic Indoles IDO1, IDO2, TPH2 TLR4 4490/4885CYP1A2 192/4885MAPK1 4475/4885
US-20040198801-A1 Cyclohept'b!indole derivatives as spla2 inhibitors SPTSSB, CPT1A, TPH2 TLR4 401/4885CYP1A2 507/4885MAPK1 4341/4885

“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.