SCHEMBL2128796

SCHEMBL2128796

CCOc1c(C=O)cc(Br)cc1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
ALDH1A1 P00352 5/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 1/20 0.45
ERN1 O75460 3/20 0.37
KMT2A Q03164 2/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
POLB P06746 1/20 0.35
RXRA P19793 2/20 0.34
PPARG P37231 2/20 0.34
RARG P13631 1/20 0.34
TSHR P16473 2/20 0.34
HPGD P15428 1/20 0.34
THRB P10828 1/20 0.33
GAA P10253 1/20 0.33
IGF1R P08069 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL1729069 0.86 ALDH1A1 (0.41) LMNAALDH1A1CYP1A2CYP2C19ERN1
SCHEMBL1542960 0.85 ALDH1A1 (0.40) LMNAALDH1A1CYP1A2CYP2C19ERN1
SCHEMBL1542282 0.82 ERN1 (0.47) ALDH1A1CYP1A2CYP2C19ERN1KMT2A
SCHEMBL15456307 0.80 ALDH1A1 (0.38) LMNAALDH1A1CYP1A2CYP2C19ERN1
SCHEMBL7815397 0.80 LMNA (0.54) LMNAALDH1A1CYP1A2CYP2C19ERN1
SCHEMBL38660114 0.79 ALDH1A1 (0.58) LMNAALDH1A1CYP1A2CYP2C19ERN1
SCHEMBL22216884 0.78 LMNA (0.47) LMNAALDH1A1CYP1A2CYP2C19ERN1
SCHEMBL38659181 0.76 ALDH1A1 (0.71) LMNAALDH1A1CYP1A2CYP2C19ERN1
SCHEMBL5388061 0.75 LMNA (0.45) LMNAALDH1A1CYP1A2CYP2C19ERN1
SCHEMBL28437264 0.73 LMNA (0.47) LMNAALDH1A1CYP1A2CYP2C19ERN1

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 3 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 disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 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-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B LMNA 2389/4885ALDH1A1 1136/4885CYP1A2 743/4885

“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.