SCHEMBL10170815

SCHEMBL10170815

O=C(CCl)c1ccc2c(c1)COc1ccc(C(=O)CCl)cc1CO2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.60
▸ MAPT P10636 3/20 0.60
▸ ATM Q13315 1/20 0.46
▸ CTNNB1 P35222 5/20 0.44
▸ WNT3A P56704 3/20 0.44
▸ GSK3B P49841 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HSD17B10 Q99714 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
SCHEMBL1182701 0.83 PRKCI (0.57) ALDH1A1MAPTATMCTNNB1WNT3A
SCHEMBL13193134 0.81 CTNNB1 (0.68) ALDH1A1MAPTATMCTNNB1WNT3A
SCHEMBL11750545 0.79 ALDH1A1 (0.49) ALDH1A1MAPTATMCTNNB1WNT3A
SCHEMBL6486626 0.79 CTNNB1 (0.66) ALDH1A1MAPTATMCTNNB1WNT3A
SCHEMBL1535157 0.79 ATM (0.72) ALDH1A1MAPTATMCTNNB1WNT3A
SCHEMBL532500 0.75 ALDH1A1 (1.00) ALDH1A1MAPTPKMTSHRSMN1; SMN2
SCHEMBL29550875 0.75 ALDH1A1 (1.00) ALDH1A1MAPTPKMTSHRSMN1; SMN2
SCHEMBL18114087 0.74 ALDH1A1 (0.48) ALDH1A1MAPTATMCTNNB1WNT3A
SCHEMBL14692395 0.74 GSK3B (0.50) ALDH1A1MAPTCTNNB1WNT3AGSK3B
SCHEMBL619096 0.74 ALDH1A1 (0.50) ALDH1A1MAPTATMCTNNB1WNT3A

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-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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 1474/4885MAPT 3989/4885ATM 4135/4885
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, ZC3HAV1 ALDH1A1 1685/4885MAPT 3928/4885ATM 3917/4885

“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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