SCHEMBL5514502

SCHEMBL5514502

COC1CCC(n2c(-c3ccc(OCc4ccccc4)cc3)nc3cc(C(=O)O)ccc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 7/20 0.50
▸ VDR P11473 6/20 0.50
▸ IDH1 O75874 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ NR4A1 P22736 1/20 0.43
▸ NR4A2 P43354 1/20 0.43
▸ NR4A3 Q92570 1/20 0.43
▸ PTGER4 P35408 4/20 0.43
▸ FPR2 P25090 1/20 0.42
▸ RORC P51449 1/20 0.42
▸ EGLN1 Q9GZT9 1/20 0.42

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
SCHEMBL5514498 1.00 NR1H4 (0.50) NR1H4VDRIDH1L3MBTL1NR4A1
SCHEMBL14382681 0.94 NR1H4 (0.53) NR1H4VDRIDH1L3MBTL1NR4A1
SCHEMBL5516298 0.91 IDH1 (0.53) NR1H4VDRIDH1L3MBTL1NR4A1
SCHEMBL5517254 0.90 NR1H4 (0.50) NR1H4VDRIDH1L3MBTL1NR4A1
SCHEMBL5517249 0.90 NR1H4 (0.50) NR1H4VDRIDH1L3MBTL1NR4A1
SCHEMBL5518839 0.90 L3MBTL1 (0.55) NR1H4VDRIDH1L3MBTL1NR4A1
SCHEMBL14382913 0.90 NR1H4 (0.54) NR1H4VDRIDH1L3MBTL1NR4A1
SCHEMBL5515611 0.89 NR1H4 (0.49) NR1H4VDRIDH1L3MBTL1NR4A1
SCHEMBL5515616 0.89 NR1H4 (0.49) NR1H4VDRIDH1L3MBTL1NR4A1
SCHEMBL791364 0.89 L3MBTL1 (0.57) NR1H4VDRIDH1L3MBTL1NR4A1

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 NR1H4 484/4885VDR 3852/4885IDH1 1177/4885
US-20030050320-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C NR1H4 37/4885VDR 3966/4885IDH1 249/4885
US-20070032497-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C NR1H4 51/4885VDR 4125/4885IDH1 223/4885
US-20040097438-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, SLC10A1 NR1H4 20/4885VDR 4266/4885IDH1 147/4885

“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.

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