SCHEMBL619096

SCHEMBL619096

O=C(CCl)c1ccc2c(c1)Oc1ccc(C(=O)CCl)cc1O2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ GSK3B P49841 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ ATM Q13315 1/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ TRPA1 O75762 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ HPGD P15428 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CTNNB1 P35222 6/20 0.44
▸ WNT3A P56704 3/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAOB P27338 1/20 0.41

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
SCHEMBL11820732 0.82 ALDH1A1 (0.46) ALDH1A1GSK3BMAPTATMHIF1A
SCHEMBL11750545 0.82 ALDH1A1 (0.49) ALDH1A1GSK3BMAPTATMHIF1A
SCHEMBL6486626 0.81 CTNNB1 (0.66) ALDH1A1MAPTATMMAPK1KDM4E
SCHEMBL1535157 0.81 ATM (0.72) ALDH1A1MAPTATMMAPK1KDM4E
SCHEMBL10170811 0.80 ALDH1A1 (0.42) ALDH1A1GSK3BMAPTATMHIF1A
SCHEMBL11753550 0.78 ALDH1A1 (0.43) ALDH1A1GSK3BMAPTATMHIF1A
SCHEMBL2379710 0.77 CTNNB1 (0.66) ALDH1A1GSK3BMAPTATMHIF1A
SCHEMBL11550016 0.76 ALDH1A1 (0.54) ALDH1A1GSK3BMAPTHIF1ATRPA1
SCHEMBL1928583 0.76 ALOX5 (0.68) ALDH1A1GSK3BMAPTHIF1ATRPA1
SCHEMBL11480265 0.75 GSK3B (0.80) ALDH1A1GSK3BMAPTHIF1ATRPA1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150554-B2 Fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-10-06 — — US disclosed
US-9150554-B2 Fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-10-06 — — US disclosed
US-8999967-B2 Tricyclic fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-04-07 — — US disclosed
US-8999967-B2 Tricyclic fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-04-07 — — US disclosed
US-8889726-B2 Chemica compounds GLAXOSMITHKLINE LLC (US) 2014-11-18 — — US disclosed
US-8889726-B2 Chemica compounds GLAXOSMITHKLINE LLC (US) 2014-11-18 — — US disclosed
US-8889726-B2 Chemica compounds GLAXOSMITHKLINE LLC (US) 2014-11-18 — — US disclosed
US-20140171476-A1 Chemical Compounds GLAXOSMITH KLINE LLC (US) 2014-06-19 — — US disclosed
US-20140171476-A1 Chemical Compounds GLAXOSMITH KLINE LLC (US) 2014-06-19 — — US disclosed
US-20140171476-A1 Chemical Compounds GLAXOSMITH KLINE LLC (US) 2014-06-19 — — US disclosed
US-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 — — US disclosed
US-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 — — US disclosed
WO-2013028953-A1 COMBINATION TREATMENTS FOR HEPATITIS C GLAXOSMITHKLINE LLC (US) 2013-02-28 — — WO disclosed
WO-2013022810-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-02-14 — — WO disclosed
WO-2012050918-A2 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICAL, INC. (US) 2012-04-19 — — WO disclosed
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 — — US disclosed
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 — — US disclosed
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 — — US disclosed
WO-2011156543-A2 INHIBITORS OF HCV NS5A PROTEIN PRESIDIO PHARMACEUTICALS, INC. (US) 2011-12-15 — — WO disclosed
WO-2010111534-A1 FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2010-09-30 — — 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 (3 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-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, LIPC ALDH1A1 1474/4885GSK3B 446/4885MAPT 3989/4885
US-20140171476-A1 Chemical Compounds SLC10A1, UGT2B7, CYP3A43 ALDH1A1 129/4885GSK3B 1312/4885MAPT 2357/4885
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, ZC3HAV1 ALDH1A1 1685/4885GSK3B 422/4885MAPT 3928/4885

“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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