SCHEMBL3220980

SCHEMBL3220980

CC1(C)COB(c2ccccc2O)OC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
CA2 P00918 3/20 0.32
CA1 P00915 2/20 0.32
CA12 O43570 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
GMNN O75496 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EGFR P00533 1/20 0.32
LMNA P02545 1/20 0.32
FYN P06241 1/20 0.32
POLB P06746 1/20 0.32
CA3 P07451 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL3196403 0.84 TRPA1 (0.38)
SCHEMBL12370783 0.79 TSHR (0.33)
SCHEMBL31554010 0.78 CA2 (0.39) HPGDMEN1KMT2ACA2CA1
SCHEMBL4590214 0.78 CA2 (0.39) HPGDMEN1KMT2ACA2CA1
SCHEMBL29777949 0.78 ALDH1A1 (0.33) HPGDMEN1KMT2AALDH1A1CYP3A4
SCHEMBL5892430 0.78 TAAR1 (0.35) LMNA
SCHEMBL2920762 0.78 CYP3A4 (0.32) CYP3A4ALOX15SMN1; SMN2TDP1
SCHEMBL17940671 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL29777948 0.78 TAAR1 (0.35) LMNA
SCHEMBL5892492 0.78 ALDH1A1 (0.33) HPGDMEN1KMT2AALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100055071-A1 Anti-Viral Compounds SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
EP-2097405-A2 ANTI-VIRAL COMPOUNDS Smithkline Beecham Corporation (US) 2009-09-09 EP disclosed
US-20080193411-A1 Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-08-14 US disclosed
WO-2008070447-A2 ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 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-20080193411-A1 Anti-viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 HPGD 4794/4885MEN1 1936/4885PKM 1157/4885
US-20100055071-A1 Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 HPGD 4794/4885MEN1 1936/4885PKM 1157/4885

“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.