SCHEMBL6048618

SCHEMBL6048618

COCOc1c(C=O)cccc1-c1cccc(C=O)c1OCOC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
SRC P12931 1/20 0.41
ALDH1A1 P00352 3/20 0.40
BACE1 P56817 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ERN1 O75460 4/20 0.40
PTPN1 P18031 1/20 0.40
TLR2 O60603 1/20 0.40
TLR1 Q15399 1/20 0.40
TLR6 Q9Y2C9 1/20 0.40
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL12961839 0.89 SRC (0.47) CA1CA2SRCALDH1A1HPGD
SCHEMBL12961813 0.89 CA1 (0.41) CA1CA2SRCALDH1A1BACE1
SCHEMBL3214106 0.84 ALDH1A1 (0.47) CA1CA2SRCALDH1A1BACE1
SCHEMBL2043979 0.84 PTPN1 (0.53) CA1CA2SRCALDH1A1BACE1
SCHEMBL1806253 0.83 CA1 (0.45) CA1CA2SRCALDH1A1BACE1
SCHEMBL9454738 0.83 CA1 (0.67) CA1CA2SRCALDH1A1BACE1
SCHEMBL29940732 0.83 CA1 (0.45) CA1CA2SRCALDH1A1BACE1
SCHEMBL27806563 0.83 CA1 (0.45) CA1CA2SRCALDH1A1BACE1
SCHEMBL17531796 0.83 CA1 (0.45) CA1CA2SRCALDH1A1BACE1
SCHEMBL28272003 0.83 CA1 (0.45) CA1CA2SRCALDH1A1BACE1

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-7151070-B2 Chiral catalyst, process for preparing the same and its use in the oxidate coupling of naphthols CHENGDU INSTITUTE OF ORGANIC CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2006-12-19 US disclosed
US-20050256345-A1 Chiral catalyst, process for preparing the same and its use in the oxidate coupling of naphthols CHENGDU INSTITUTE OF ORGANIC CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2005-11-17 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-20050256345-A1 Chiral catalyst, process for preparing the same and its use in the oxidate coupling of naphthols BCAT2, BCAT1, NDUFV2 CA1 3594/4885CA2 2422/4885SRC 945/4885

“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.