SCHEMBL11260892

SCHEMBL11260892

COc1cc(C)c(Br)cc1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ADRA2A P08913 1/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
HTR2A P28223 1/20 0.43
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL13169383 0.83 LMNA (0.53) LMNATP53CYP3A4HPGDALOX15
SCHEMBL12224029 0.83 LMNA (0.57) LMNATP53CYP3A4HPGDALOX15
SCHEMBL128678 0.82 HTR2A (0.45) HPGDTSHRSMN1; SMN2HTR2ACYP1A2
SCHEMBL85484 0.81 LMNA (0.55) LMNATP53CYP3A4HPGDALOX15
SCHEMBL12388583 0.81 LMNA (0.61) LMNATP53CYP3A4HPGDALOX15
SCHEMBL8499602 0.79 LMNA (0.59) LMNATP53CYP3A4HPGDALOX15
SCHEMBL12302475 0.78 CYP3A4 (0.48) LMNATP53CYP3A4HPGDALOX15
SCHEMBL1505362 0.78 MAPT (0.52) CYP3A4TSHRSMN1; SMN2HTR2ACYP1A2
SCHEMBL30931256 0.78 CYP1A2 (0.38) LMNATP53CYP3A4HPGDALOX15
SCHEMBL398164 0.78 CYP3A4 (0.74) LMNATP53CYP3A4HPGDALOX15

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-8232271-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-07-31 US disclosed
US-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2010-05-06 US disclosed
US-4361573-A α,α-Diaryl-β-(tert-amino)-propanols and diuretic pharmaceutical compositions containing them TEMMLER AG (CH) 1982-11-30 US disclosed
US-4025633-A DIURETICS, SALURETICS FIRMA TEMMLER A.G. (CH) 1977-05-24 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-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, EIF2AK2, POLR2B LMNA 3098/4885TP53 1343/4885CYP3A4 423/4885

“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.