SCHEMBL14533455

SCHEMBL14533455

CC(C)=CCCC(C)(O)C1Oc2ccc(C(=O)/C=C/c3ccc(O)cc3)c(O)c2C1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.48
▸ DHODH Q02127 1/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MAOB P27338 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ TOP2A P11388 1/20 0.45
▸ BACE1 P56817 2/20 0.41
▸ BCHE P06276 1/20 0.41
▸ ODC1 P11926 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ HIF1A Q16665 3/20 0.40
▸ EPAS1 Q99814 3/20 0.40
▸ PTGS1 P23219 2/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ MGAM O43451 1/20 0.38
▸ CYP3A4 P08684 2/20 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
SCHEMBL31021106 0.80 TOP2A (0.53) PTPN1DHODHMEN1LMNAMAPT
SCHEMBL31021107 0.80 TOP2A (0.53) PTPN1DHODHMEN1LMNAMAPT
SCHEMBL4479470 0.80 PTPN1 (0.48) PTPN1DHODHMEN1LMNAMAPT
SCHEMBL4479473 0.80 PTPN1 (0.48) PTPN1DHODHMEN1LMNAMAPT
SCHEMBL29435848 0.67 BACE1 (0.47) PTPN1DHODHMEN1LMNAMAPT
Lespeol SCHEMBL5522457 0.67 PTPN1 (0.69) PTPN1DHODHMEN1LMNAMAPT
Isobavachalcone SCHEMBL600137 0.65 PTPN1 (1.00) PTPN1DHODHMEN1LMNAMAPT
Xanthoangelol SCHEMBL5519356 0.64 MEN1 (1.00) PTPN1DHODHMEN1LMNAMAPT
Xanthoangelol SCHEMBL5519362 0.64 MEN1 (1.00) PTPN1DHODHMEN1LMNAMAPT
Xanthoangelol SCHEMBL454823 0.64 MEN1 (1.00) PTPN1DHODHMEN1LMNAMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070112066-A1 Remedy TAKARA BIO INC. (JP) 2007-05-17 — — 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-20070112066-A1 Remedy AKR1B1, AKR1C2, ALDOA PTPN1 1047/4885DHODH 353/4885MEN1 2032/4885

“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.

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