SCHEMBL6423055

SCHEMBL6423055

Oc1c2cc(OCc3ccccc3)cc1Cc1cc(OCc3ccccc3)cc(c1O)Cc1cc(OCc3ccccc3)cc(c1O)Cc1cc(OCc3ccccc3)cc(c1O)Cc1cc(OCc3ccccc3)cc(c1O)Cc1cc(OCc3ccccc3)cc(c1O)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
LMNA P02545 1/20 0.56
PTGS1 P23219 1/20 0.56
SLC6A2 P23975 1/20 0.56
CYP2C19 P33261 1/20 0.56
PTGS2 P35354 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HIF1A Q16665 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
CYP1A1 P04798 1/20 0.54
CYP19A1 P11511 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HRH3 Q9Y5N1 1/20 0.49
ALOX5 P09917 1/20 0.49
MAOB P27338 9/20 0.48
MAOA P21397 4/20 0.48
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
NR4A2 P43354 2/20 0.46

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
SCHEMBL16379078 1.00 CYP1A2 (0.56) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL16379079 1.00 CYP1A2 (0.56) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL2007390 0.79 CYP1A2 (0.67) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL1834526 0.79 CYP1A2 (0.67) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL4674930 0.78 MEN1 (0.70) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL1186369 0.78 CYP1A2 (0.60) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL2446166 0.76 CYP1A2 (0.58) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL10030221 0.76 CYP1A2 (0.58) CYP1A2LMNAPTGS1SLC6A2CYP2C19
Monobenzone SCHEMBL8450838 0.72 LMNA (1.00) CYP1A2LMNAPTGS1SLC6A2CYP2C19
Monobenzone SCHEMBL11272996 0.72 LMNA (1.00) CYP1A2LMNAPTGS1SLC6A2CYP2C19

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-9255054-B2 High-yield synthesis of p-(benzyloxy)calix[6, 7,8]arenes UNIVERSITE PARIS-SUD XI (FR) 2016-02-09 US disclosed
US-20150011798-A1 HIGH-YIELD SYNTHESIS OF P-(BENZYLOXY)CALIX[6, 7,8]ARENES UNIVERSITE PARIS-SUD XI (FR) 2015-01-08 US disclosed
EP-1200391-B1 CALIXARENE ACETAMIDO DERIVATIVES, PREPARATION AND USE THEREOF FOR EXTRACTING STRONTIUM COMMISSARIAT ENERGIE ATOMIQUE (FR) 2005-10-19 EP 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-20150011798-A1 HIGH-YIELD SYNTHESIS OF P-(BENZYLOXY)CALIX[6, 7,8]ARENES BRIX1, CBX2, CANX CYP1A2 1532/4885LMNA 1625/4885PTGS1 912/4885

“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.