SCHEMBL4386562

SCHEMBL4386562

CCC(CC)Cc1ccc(OC(=O)Oc2ccc(CC(CC)CC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ESR1 P03372 1/20 0.42
HIF1A Q16665 1/20 0.42
ACACB O00763 5/20 0.41
THRB P10828 1/20 0.41
PPARA Q07869 3/20 0.41
ELANE P08246 1/20 0.41
PPARG P37231 1/20 0.41
PTGS2 P35354 1/20 0.40
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
RAB9A P51151 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
SCHEMBL237613 0.81 PTGS2 (0.56) LDHAESR1PTGS2
SCHEMBL609670 0.79 LDHA (0.44) LDHAKMT2AMEN1PPARAELANE
SCHEMBL47952 0.78 RAB9A (0.56) KMT2AMEN1THRBPPARAELANE
SCHEMBL15899188 0.77 PPARA (0.50) LDHAACACBPPARAPPARGPTGS2
SCHEMBL13103842 0.77 ALDH1A1 (0.59) LDHAKMT2AMEN1PPARAPPARG
SCHEMBL609925 0.77 LDHA (0.43) LDHAKMT2AMEN1ACACBPPARA
SCHEMBL15899564 0.76 LDHA (0.51) LDHAKMT2AMEN1ESR1ACACB
SCHEMBL237802 0.76 PTGS2 (0.52) ESR1PPARAPPARGPTGS2
SCHEMBL1219106 0.76 SLC6A4 (0.59) LDHA
SCHEMBL9261658 0.76 SMN1; SMN2 (0.49) LDHAKMT2ATHRBPPARGRAB9A

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-7629485-B2 Process for producing aromatic carbonate ASAHI KASEI CHEMICALS CORPORATION (JP) 2009-12-08 US disclosed
US-20080177099-A1 Process for Producing Aromatic Carbonate ASAHI KASEI KABUSHIKI KAISHA (JP) 2008-07-24 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-20080177099-A1 Process for Producing Aromatic Carbonate DCLK1, ALK, DCLK3 LDHA 2361/4885KMT2A 2526/4885MEN1 2201/4885

“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.