SCHEMBL5510308

SCHEMBL5510308

O=C(CC1CCCCC1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.58
NR4A1 P22736 1/20 0.57
NR4A2 P43354 1/20 0.57
NR4A3 Q92570 1/20 0.57
MAOB P27338 1/20 0.55
PARP10 Q53GL7 1/20 0.55
SRD5A2 P31213 1/20 0.54
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PLA2G4B P0C869 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
KDM4E B2RXH2 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
CHRNB2 P17787 1/20 0.49
CHRNA5 P30532 1/20 0.49
CHRNA7 P36544 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
SCHEMBL6902866 1.00 EGFR (0.58) EGFRNR4A1NR4A2NR4A3MAOB
SCHEMBL7841747 0.88 EGFR (0.47) EGFRNR4A1NR4A2NR4A3MAOB
SCHEMBL14785037 0.82 MAOB (0.59) MAOBRAB9ASMN1; SMN2KDM4EKMT2A
SCHEMBL28595923 0.81 EPHX2 (0.57) RAB9ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL2438485 0.81 EPHX2 (0.57) RAB9ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL1278317 0.81 EPHX2 (0.57) RAB9ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL7094216 0.81 EPHX2 (0.57) RAB9ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL10133110 0.80 RAB9A (0.76) RAB9ASMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL2439457 0.79 MAPT (0.56) RAB9ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL16178630 0.79 NPC1 (0.54) SRD5A2RAB9AMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285551-B2 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-10-23 US disclosed
US-20070032497-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-7112600-B1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2006-09-26 US disclosed
US-6770666-B2 A THERAPEUTIC AGENT FOR TREATING HEPATITIS C, BASED ON POLYMERASE INHIBITORY ACTIVITY JAPAN TOBACCO INC. (JP) 2004-08-03 US disclosed
US-20040097438-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2004-05-20 US disclosed
US-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor JAPAN TOBACCO INC. (JP) 2004-04-29 US disclosed
EP-1400241-A1 FUSED CYCLIC COMPOUNDS AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-03-24 EP disclosed
US-20030050320-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2003-03-13 US 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-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor HAVCR2, ZC3HAV1, POLR1C EGFR 4716/4885NR4A1 2606/4885NR4A2 3583/4885
US-20030050320-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C EGFR 4630/4885NR4A1 1083/4885NR4A2 1851/4885
US-20070032497-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C EGFR 4648/4885NR4A1 1261/4885NR4A2 1760/4885
US-20040097438-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, SLC10A1 EGFR 4032/4885NR4A1 1483/4885NR4A2 2410/4885

“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.