SCHEMBL4792584

SCHEMBL4792584

CC(C)(C)c1ccc(Oc2ccc(C(F)(F)F)c(Cl)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
AR P10275 3/20 0.43
HTR2A P28223 4/20 0.43
SLC6A4 P31645 4/20 0.43
KCNH2 Q12809 4/20 0.43
RAPGEF3 O95398 2/20 0.41
PPARG P37231 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
PDE2A O00408 1/20 0.40
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL24998721 0.87 PPARG (0.51) ALDH1A1HPGDNPC1MAPTMAPK1
SCHEMBL12330496 0.83 AR (0.56) ALDH1A1MAPTARHTR2ASLC6A4
SCHEMBL12937217 0.82 RAB9A (0.49) ALDH1A1HPGDNPC1MAPTMAPK1
SCHEMBL4792259 0.81 PDE2A (0.51) ALDH1A1HPGDARRAPGEF3PDE2A
SCHEMBL18210653 0.80 SOS1 (0.54) ALDH1A1HPGDNPC1MAPTMAPK1
SCHEMBL3559370 0.80 MAOA (0.50) ALDH1A1HPGDNPC1MAPTMAPK1
SCHEMBL12967051 0.79 MRGPRX4 (0.42) NPC1RAB9AARHTR2ASLC6A4
Hydrochloric Acid SCHEMBL11440177 0.79 MAOA (0.48) ALDH1A1HPGDNPC1MAPTMAPK1
SCHEMBL8633319 0.77 ESRRA (0.54) ALDH1A1HPGDNPC1MAPTMAPK1
SCHEMBL12732711 0.77 TLR8 (0.46) MAPTRAB9AARHTR2ASLC6A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309260-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2016-04-12 US disclosed
US-9085587-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
US-20140286899-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. (US) 2014-09-25 US disclosed
US-20130302282-A1 Inhibitors of Hepatitis C Virus PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-14 US disclosed
US-20120276051-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-11-01 US disclosed
US-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. 2012-10-04 US disclosed
WO-2012058125-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-03 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 (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-20120276051-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, LIPC, HCCS ALDH1A1 1654/4885HPGD 2919/4885NPC1 54/4885
US-20130302282-A1 Inhibitors of Hepatitis C Virus HAVCR2, LIPC, HCCS ALDH1A1 1654/4885HPGD 2919/4885NPC1 54/4885
US-20140286899-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, LIPC, HCCS ALDH1A1 1654/4885HPGD 2919/4885NPC1 54/4885
US-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, LIPC, HCCS ALDH1A1 1654/4885HPGD 2919/4885NPC1 54/4885

“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.