SCHEMBL10170794

SCHEMBL10170794

O=C(CCl)c1ccc2c(c1)C1CCC2c2cc(C(=O)CCl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.46
▸ ALDH1A1 P00352 8/20 0.43
▸ MAPT P10636 5/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HIF1A Q16665 2/20 0.42
▸ TRPA1 O75762 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.39
▸ SLC6A4 P31645 8/20 0.37
▸ SLC6A2 P23975 7/20 0.37
▸ SLC6A3 Q01959 7/20 0.37
▸ POLB P06746 2/20 0.37
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36

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
SCHEMBL12682899 0.91 ALDH1A1 (0.39) GSK3BALDH1A1MAPTSMN1; SMN2HIF1A
SCHEMBL10170793 0.82 SLC6A4 (0.36) GSK3BSLC6A4SLC6A2SLC6A3
SCHEMBL10170776 0.82 PTPN1 (0.47) GSK3BSLC6A4SLC6A2SLC6A3
SCHEMBL10170781 0.77 SLC6A4 (0.50) ALDH1A1MAPTMAPK1KDM4ETP53
SCHEMBL11169652 0.77 SLC6A4 (0.50) ALDH1A1MAPTMAPK1KDM4ETP53
SCHEMBL10170777 0.76 CHRNA1 (0.53) ALDH1A1MAPTKDM4ERAB9ALMNA
SCHEMBL11115696 0.76 CHRNA1 (0.53) ALDH1A1MAPTKDM4ERAB9ALMNA
SCHEMBL10170791 0.75 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2HIF1AKDM4E
SCHEMBL12682932 0.74 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3
SCHEMBL28594167 0.72 ALDH1A1 (0.45) GSK3BALDH1A1MAPTSMN1; SMN2KDM4E

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 9 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
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 (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 GSK3B 446/4885ALDH1A1 1474/4885MAPT 3989/4885
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, ZC3HAV1 GSK3B 422/4885ALDH1A1 1685/4885MAPT 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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