SCHEMBL1543440

SCHEMBL1543440

CC(C)(C)c1cc(Cc2ccccc2)c(O)c(-c2ccc[nH]c2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.38
ELANE P08246 2/20 0.38
PTPN2 P17706 1/20 0.36
PTPN6 P29350 1/20 0.36
BCL2 P10415 2/20 0.36
CTSG P08311 1/20 0.35
KMT2A Q03164 1/20 0.35
BCL2L1 Q07817 1/20 0.35
CYP3A4 P08684 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PLA2G1B P04054 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL1543258 0.87 ALDH1A1 (0.38) KMT2ACYP3A4NPC1ALDH1A1PLA2G1B
SCHEMBL1542954 0.85 DAO (0.36) CYP3A4NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL1542747 0.82 PARP1 (0.41) CYP3A4ALDH1A1
SCHEMBL1542786 0.81 NPC1 (0.39) PTPN1NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL1543186 0.80 CYP3A4 (0.42) KMT2ACYP3A4NPC1ALDH1A1RAB9A
SCHEMBL1542849 0.79 NPC1 (0.41) KMT2ACYP3A4NPC1ALDH1A1PLA2G1B
SCHEMBL1543310 0.78 CYP3A4 (0.39) KMT2ACYP3A4NPC1ALDH1A1PLA2G1B
SCHEMBL10871265 0.77 BCL2 (0.52) PTPN1PTPN2PTPN6BCL2BCL2L1
SCHEMBL1543435 0.77 ALDH1A1 (0.40) CYP3A4NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL1542933 0.77 AKR1C2 (0.38) KMT2ACYP3A4NPC1ALDH1A1PLA2G1B

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 PTPN1 1955/4885ELANE 2438/4885PTPN2 2472/4885

“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.