SCHEMBL1542864

SCHEMBL1542864

Cc1cc(-c2ccc[nH]c2=O)cc(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
ATM Q13315 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40
CYP3A4 P08684 3/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
PLA2G1B P04054 1/20 0.37
NFKB1 P19838 1/20 0.37
CASP3 P42574 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SENP8 Q96LD8 1/20 0.37

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
SCHEMBL2128898 0.81 KIF11 (0.45) RXRARXRBNPC1RAB9AATM
SCHEMBL1543310 0.80 CYP3A4 (0.39) RXRARXRBTSHRNPC1RAB9A
SCHEMBL1542185 0.79 RXRA (0.42) RXRARXRBKDM4EDAO
SCHEMBL16455963 0.78 BRD4 (0.43) NPC1RAB9AATMERAP1ALDH1A1
SCHEMBL1543363 0.77 GSTP1 (0.42) RXRARXRBNPC1RAB9ACYP3A4
SCHEMBL6569203 0.77 FYN (0.46) NPC1RAB9AATMERAP1ALDH1A1
SCHEMBL1542764 0.76 LOXL2 (0.40) RXRARXRBNPC1RAB9ACYP3A4
SCHEMBL1543015 0.76 RXRA (0.39) RXRARXRBDAOTNKS
SCHEMBL1543241 0.76 RXRA (0.39) RXRARXRBDAO
SCHEMBL1542849 0.76 NPC1 (0.41) TSHRBLMNPC1RAB9AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US claimed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP claimed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP claimed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO claimed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US claimed

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

For each of this compound's patents that has machine-readable text (1 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-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B RXRA 1185/4885RXRB 812/4885TSHR 1823/4885

“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.