SCHEMBL6129149

SCHEMBL6129149

COCCC(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.69
WNT3A P56704 3/20 0.69
MAPT P10636 3/20 0.59
TSHR P16473 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA4 P22748 1/20 0.58
CA6 P23280 1/20 0.58
CA7 P43166 1/20 0.58
TPMT P51580 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
ALDH1A1 P00352 4/20 0.57
PDE4B Q07343 1/20 0.56
ACHE P22303 1/20 0.56

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
SCHEMBL10455919 0.89 CTNNB1 (0.83) CTNNB1WNT3AMAPTTSHRCYP1A2
SCHEMBL24375732 0.87 SLC22A6 (0.62) CTNNB1WNT3ACYP1A2GAAMEN1
SCHEMBL31556192 0.86 CTNNB1 (0.73) CTNNB1WNT3AMAPTTSHRCYP1A2
SCHEMBL27261724 0.85 CTNNB1 (0.63) CTNNB1WNT3AMAPTTSHRCYP1A2
SCHEMBL6600362 0.84 CTNNB1 (0.71) CTNNB1WNT3AMAPTTSHRCYP1A2
SCHEMBL31556194 0.84 CTNNB1 (0.71) CTNNB1WNT3AMAPTTSHRCYP1A2
SCHEMBL30092278 0.84 CTNNB1 (0.71) CTNNB1WNT3AMAPTTSHRCYP1A2
SCHEMBL30313764 0.84 CTNNB1 (0.71) CTNNB1WNT3AMAPTTSHRCYP1A2
SCHEMBL29060617 0.84 CTNNB1 (0.71) CTNNB1WNT3AMAPTTSHRCYP1A2
SCHEMBL14483927 0.83 CTNNB1 (0.69) CTNNB1WNT3AMAPTTSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065213-A1 Combretastatin a-4 derivatives having antineoplastic activity LAWRENCE NICHOLAS JAMES (GB) 2005-03-24 US disclosed
EP-1444190-A1 COMBRETASTATIN A-4 DERIVATIVES HAVING ANTINEOPLASTIC ACTIVITY Cancer Research Technology Limited (GB) 2004-08-11 EP disclosed
WO-2003040077-A1 COMBRETASTATIN A-4 DERIVATIVES HAVING ANTINEOPLASTIC ACTIVITY CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-05-15 WO disclosed
EP-0680950-B1 PROPENONE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2001-05-23 EP disclosed
US-5952355-A 1-ETHER-SUBSTITUTED PHENYL-3-INDOL-3-YL-2-PROPEN-1-ONE DERIVATIVES; ANTITUMOR AND -CARCINOGENIC AGENTS; IMMUNOSUPPRESSANTS; AUTOIMMUNE DISEASES; SIDE EFFECT REDUCTION KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-09-14 US disclosed
EP-0680950-A1 PROPENONE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-11-08 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-20050065213-A1 Combretastatin a-4 derivatives having antineoplastic activity AURKA, AURKB, HDAC4 CTNNB1 4243/4885WNT3A 2982/4885MAPT 2531/4885

“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.