SCHEMBL2608901

SCHEMBL2608901

Cc1ccc(CCOCC(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.49
CYP1A2 P05177 1/20 0.43
CYP2A6 P11509 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
AGXT P21549 2/20 0.38
IDO1 P14902 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
HPGD P15428 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
IGF1R P08069 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPT P10636 1/20 0.35
C3AR1 Q16581 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
SCHEMBL23183624 0.84 LPL (0.39)
SCHEMBL19771023 0.84 ACACB (0.35) KCNH2CYP1A2
SCHEMBL9008786 0.83 KCNH2 (0.59) KCNH2CYP1A2CYP2A6TAAR1AGXT
SCHEMBL31651134 0.82 ESR1 (0.48) TAAR1MAPT
SCHEMBL2408318 0.82 TAAR1 (0.42) TAAR1IDO1
SCHEMBL23182837 0.82 AOC3 (0.44) KCNH2TAAR1AGXTIDO1HPGD
SCHEMBL58302 0.82 AOC3 (0.43) IDO1
SCHEMBL19786128 0.81 SMN1; SMN2 (0.44) HPGD
SCHEMBL19771016 0.81 ACACB (0.48) CYP1A2HPGDMAPT
SCHEMBL20413882 0.79 POLB (0.46) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 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 (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-20120101091-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E KCNH2 3498/4885CYP1A2 642/4885CYP2A6 460/4885

“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.