SCHEMBL14112775

SCHEMBL14112775

COc1ccc(-c2ccc(C(C)(C)C)o2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.51
CACNA1G O43497 1/20 0.50
CACNA1B Q00975 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
HTRA2 O43464 1/20 0.43
FTO Q9C0B1 1/20 0.42
PTGS2 P35354 3/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAOB P27338 2/20 0.40
ALOX5 P09917 1/20 0.38
PTGS1 P23219 1/20 0.38

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
SCHEMBL15691049 0.83 PDE4A (0.53) PDE4AMAPTPTGS2ALDH1A1SMN1; SMN2
SCHEMBL10078955 0.82 AHR (0.45) MEN1KMT2AMAPTTP53GAA
SCHEMBL1116276 0.75 HTRA2 (0.56) PDE4ACACNA1GCACNA1BMEN1KMT2A
SCHEMBL7319956 0.75 PDE4A (0.50) PDE4ACACNA1GCACNA1BMEN1KMT2A
SCHEMBL12326172 0.74 PTGS2 (0.53) MEN1KMT2AGAAPTGS2ALDH1A1
SCHEMBL799604 0.74 NQO2 (0.50) LMNAMAPTTP53GAAALDH1A1
SCHEMBL799954 0.73 ALDH1A1 (0.44) MEN1KMT2ALMNAMAPTGAA
SCHEMBL7328626 0.71 MAPT (0.56) PDE4ACACNA1GCACNA1BMEN1KMT2A
SCHEMBL7328631 0.71 MAPT (0.56) PDE4ACACNA1GCACNA1BMEN1KMT2A
SCHEMBL9980406 0.71 SOS1 (0.54) MEN1KMT2AMAPTTP53GAA

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 2 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-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 PDE4A 4663/4885CACNA1G 2823/4885CACNA1B 2275/4885

“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.