SCHEMBL14112778

SCHEMBL14112778

COc1ccc(C(C)(C)C)c(Cl)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
CYP3A4 P08684 3/20 0.44
HPGD P15428 3/20 0.44
ALOX15 P16050 3/20 0.44
TP53 P04637 2/20 0.44
CA2 P00918 3/20 0.42
CA1 P00915 2/20 0.42
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
MAPK1 P28482 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 3/20 0.41
ALOX12 P18054 1/20 0.41
GAA P10253 1/20 0.41
ERN1 O75460 2/20 0.36
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
MCL1 Q07820 2/20 0.35
RARA P10276 1/20 0.35
RARB P10826 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
SCHEMBL19398825 0.82 ALDH1A1 (0.41) LMNACYP3A4HPGDALOX15TP53
SCHEMBL23542397 0.82 LMNA (0.48) LMNACYP3A4HPGDALOX15TP53
SCHEMBL22090225 0.78 CYP3A4 (0.46) LMNACYP3A4HPGDALOX15TP53
SCHEMBL2308071 0.78 LMNA (0.46) LMNACYP3A4HPGDALOX15TP53
SCHEMBL15907031 0.77 CYP3A4 (0.36) LMNACYP3A4HPGDALOX15TP53
SCHEMBL24448846 0.77 LMNA (0.44) LMNACYP3A4HPGDALOX15TP53
SCHEMBL295470 0.76 CA2 (0.64) LMNACYP3A4HPGDALOX15TP53
SCHEMBL29369061 0.76 CA2 (0.64) LMNACYP3A4HPGDALOX15TP53
SCHEMBL9335491 0.75 MAPK1 (0.46) LMNACYP3A4HPGDALOX15TP53
SCHEMBL5469559 0.75 MAPK1 (0.52) LMNACYP3A4HPGDALOX15TP53

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-8716491-B2 Benzimidazolium dyes and their use as fluorescent chemosensors NEW YORK UNIVERSITY (US) 2014-05-06 US disclosed
US-8716491-B2 Benzimidazolium dyes and their use as fluorescent chemosensors NEW YORK UNIVERSITY (US) 2014-05-06 US disclosed
US-20080160521-A1 BENZIMIDAZOLIUM DYES AND THEIR USE AS FLUORESCENT CHEMOSENSORS NEW YORK UNIVERSITY (US) 2008-07-03 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-20080160521-A1 BENZIMIDAZOLIUM DYES AND THEIR USE AS FLUORESCENT CHEMOSENSORS IK, C9, CBR3 LMNA 975/4885CYP3A4 840/4885HPGD 1738/4885

“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.