SCHEMBL5514514

SCHEMBL5514514

COC(=O)c1ccc2c(c1)cc(-c1ccc(OCc3cc(OC)ccc3-c3ccc(Cl)cc3)cc1)n2C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.38
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NR1H4 Q96RI1 3/20 0.38
CNR1 P21554 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MAOA P21397 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
KDM2B Q8NHM5 1/20 0.35
TACR2 P21452 1/20 0.35
TACR1 P25103 1/20 0.35
USP14 P54578 1/20 0.35

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
SCHEMBL791555 0.93 NR1H4 (0.41) PTGS2NR1H4FFAR1FFAR4AKR1C3
SCHEMBL7845547 0.89 NR1H4 (0.36) PTGS2ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL5514105 0.86 NR1H4 (0.47) PTGS2NR1H4CNR1NPC1VDR
SCHEMBL5508934 0.80 MAPT (0.47) ALDH1A1NPSR1NR1H4NPC1VDR
SCHEMBL5527483 0.79 NR1H4 (0.51) NR1H4VDR
Hydrochloric Acid SCHEMBL5512953 0.79 NR1H4 (0.49) NR1H4VDR
Hydrochloric Acid SCHEMBL5515106 0.79 NR1H4 (0.50) NR1H4VDR
SCHEMBL5509930 0.78 RPS6KB1 (0.45) NR1H4CNR1VDR
SCHEMBL5517236 0.78 IDH1 (0.45) NR1H4VDR
Hydrochloric Acid SCHEMBL6702410 0.78 MAPT (0.36) ALDH1A1NR1H4NPC1RAB9AFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097438-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2004-05-20 US claimed
US-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor JAPAN TOBACCO INC. (JP) 2004-04-29 US claimed
EP-1400241-A1 FUSED CYCLIC COMPOUNDS AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-03-24 EP claimed
US-20030050320-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2003-03-13 US claimed
CN-1342145-A fused ring compound and pharmaceutical use thereof JAPAN TOBACCO INC (JP) 2002-03-27 CN claimed
EP-1162196-A1 FUSED-RING COMPOUNDS AND USE THEREOF AS DRUGS JAPAN TOBACCO INC. (JP) 2001-12-12 EP claimed
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
EP-1162196-A1 FUSED-RING COMPOUNDS AND USE THEREOF AS DRUGS JAPAN TOBACCO INC. (JP) 2001-12-12 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 (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 PTGS2 1625/4885ALDH1A1 1133/4885ATM 4851/4885
US-20030050320-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C PTGS2 1120/4885ALDH1A1 463/4885ATM 4865/4885
US-20070032497-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C PTGS2 1101/4885ALDH1A1 679/4885ATM 4862/4885
US-20040097438-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, SLC10A1 PTGS2 1148/4885ALDH1A1 144/4885ATM 4833/4885

“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.