SCHEMBL5735637

SCHEMBL5735637

Cc1cc2cc(OCCCCBr)ccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.57
PPARD Q03181 1/20 0.48
CYP2A6 P11509 1/20 0.44
KEAP1 Q14145 1/20 0.44
PDGFRB P09619 4/20 0.42
PDGFRA P16234 4/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
RET P07949 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL12327788 0.86 AXL (0.62) AXLPPARDCYP2A6KEAP1PDGFRB
SCHEMBL16756015 0.83 AXL (0.62) AXLPPARDCYP2A6KEAP1PDGFRB
SCHEMBL22300369 0.81 AXL (0.65) AXLPPARDCYP2A6KEAP1PDGFRB
SCHEMBL13344896 0.81 AXL (0.60) AXLPPARDCYP2A6KEAP1PDGFRB
SCHEMBL9272429 0.79 PPARD (0.52) AXLPPARDCYP2A6KEAP1PDGFRB
SCHEMBL8292832 0.79 AXL (0.66) AXLPPARDCYP2A6KEAP1PDGFRB
SCHEMBL13344928 0.79 PDGFRB (0.60) AXLPPARDCYP2A6KEAP1PDGFRB
SCHEMBL9277759 0.78 PPARD (0.51) AXLPPARDCYP2A6KEAP1PDGFRB
SCHEMBL9277763 0.78 AXL (0.49) AXLPPARDCYP2A6KEAP1PDGFRB
SCHEMBL7802190 0.78 PDE3B (0.51) PDGFRBPDGFRAALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349833-B1 INDOLE AND DIHYDROINDOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-04-19 EP disclosed
CN-1245385-C indole and indoline derivatives HOFFMANN LA ROCHE (CH) 2006-03-15 CN disclosed
CN-1733723-A Indole and dihydroindole derivatives HOFFMANN LA ROCHE (CH) 2006-02-15 CN disclosed
CN-1476432-A indole and indoline derivatives - 2004-02-18 CN disclosed
EP-1349833-A1 INDOLE AND DIHYDROINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 EP disclosed
US-6503907-B2 Indole derivatives or dihydroindole derivatives or salts are useful for the treatment of diseases associated with 2,3-oxidosqualene-lanosterol cyclase such as gallstone, tumorhypercholesterolemia, hyperlipemia, arterioscerosis etc. HOFFMANN-LA ROCHE INC. 2003-01-07 US disclosed
US-20020103247-A1 Indole derivatives or dihydroindole derivatives or salts are useful for the treatment of diseases associated with 2,3-oxidosqualene-lanosterol cyclase such as gallstone, tumorhypercholesterolemia, hyperlipemia, arterioscerosis etc. HOFFMANN-LA ROCHE INC. 2002-08-01 US disclosed
WO-2002044149-A1 INDOLE AND DIHYDROINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-06 WO disclosed
US-5468641-A Device for validating urobilinogen test devices BAYER CORPORATION (US) 1995-11-21 US disclosed
EP-0628821-A2 Device for validating urobilinogen test devices Bayer Corporation (US) 1994-12-14 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-20020103247-A1 Indole derivatives or dihydroindole derivatives or salts are useful for the treatment of diseases associated with 2,3-oxidosqualene-lanosterol cyclase such as gallstone, tumorhypercholesterolemia, hyperlipemia, arterioscerosis etc. LSS, CYP51A1, DHCR7 AXL 4303/4885PPARD 2024/4885CYP2A6 594/4885

“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.