SCHEMBL7601215

SCHEMBL7601215

COc1ccc(-c2cc3ccc(OC)cc3c[n+]2[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
PLAU P00749 4/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
GSTP1 P09211 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2A6 P11509 1/20 0.44
PTGS2 P35354 1/20 0.42
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MITF O75030 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL4765890 0.90 CYP1A2 (0.50) HSD17B1HSD17B2PLAUNPC1RAB9A
SCHEMBL4763693 0.83 NPC1 (0.38) NPC1RAB9APTGS2HTTSMN1; SMN2
SCHEMBL16523780 0.81 HSD17B1 (0.49) HSD17B1HSD17B2PLAUNPC1RAB9A
SCHEMBL4774598 0.79 CYP11B2 (0.42) NPC1RAB9ACASP3SENP7CYP1A2
SCHEMBL4773786 0.75 NPC1 (0.38) NPC1RAB9ACASP3SENP7HTT
SCHEMBL5894790 0.72 CYP1A2 (0.47) HSD17B1HSD17B2RAB9AGSTP1CYP1A2
SCHEMBL3020390 0.72 HSD17B1 (0.76) HSD17B1HSD17B2PLAUNPC1RAB9A
SCHEMBL22093950 0.72 CYP2A6 (0.55) HSD17B1HSD17B2PLAURAB9AGSTP1
SCHEMBL30853167 0.72 CYP2A6 (0.55) HSD17B1HSD17B2PLAURAB9AGSTP1
SCHEMBL12051687 0.71 HSD17B1 (0.83) HSD17B1HSD17B2NPC1RAB9ACASP3

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-20150057218-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS INC (US) 2015-02-26 US disclosed
US-8921369-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8921369-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8877707-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
EP-2682393-A1 Inhibitors of HCV NS5A comprising a bicyclic core. Presidio Pharmaceuticals, Inc. (US) 2014-01-08 EP disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
US-20130096101-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-04-18 US disclosed
US-20120122864-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-17 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 (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-20130096101-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 HSD17B1 3856/4885HSD17B2 4218/4885PLAU 3555/4885
US-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 HSD17B1 3708/4885HSD17B2 4108/4885PLAU 3545/4885
US-20150057218-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 HSD17B1 3708/4885HSD17B2 4108/4885PLAU 3545/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 HSD17B1 3708/4885HSD17B2 4108/4885PLAU 3545/4885

“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.