Sugi Predict

Sugi Predict / Compounds / SCHEMBL3260660

SCHEMBL3260660

SCHEMBL3260660

O=C1/C(=C\c2ccc(O)c(O)c2)CNC/C1=C\c1ccc(O)c(O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.60
▸ GAA P10253 1/20 0.60
▸ SI P14410 1/20 0.60
▸ MGAM2 Q2M2H8 1/20 0.60
▸ IKBKB O14920 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ STK17B O94768 1/20 0.55
▸ MIF P14174 1/20 0.55
▸ FGFR1 P11362 1/20 0.54
▸ CES2 O00748 1/20 0.54
▸ EGFR P00533 1/20 0.54
▸ LCK P06239 1/20 0.51
▸ EP300 Q09472 1/20 0.51
▸ MAOA P21397 1/20 0.51
▸ MAOB P27338 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50

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
SCHEMBL31432866 1.00 MGAM (0.60) MGAMGAASIMGAM2IKBKB
SCHEMBL3260661 1.00 MGAM (0.60) MGAMGAASIMGAM2IKBKB
SCHEMBL3196452 0.85 MGAM (0.73) MGAMGAASIMGAM2MEN1
SCHEMBL14259649 0.82 MGAM (0.85) MGAMGAASIMGAM2MEN1
SCHEMBL3259939 0.82 MGAM (0.85) MGAMGAASIMGAM2MEN1
SCHEMBL31432726 0.81 KMT2A (0.78) GAAMEN1KMT2AMIFFGFR1
SCHEMBL22823087 0.81 MAPT (0.66) GAAMEN1KMT2AMIFEGFR
SCHEMBL22550919 0.81 KMT2A (0.78) GAAMEN1KMT2AMIFFGFR1
SCHEMBL3267647 0.81 MAPT (0.68) MGAMGAASIMGAM2MEN1
SCHEMBL3263753 0.81 MGAM (0.59) MGAMGAASIMGAM2MEN1

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-8859625-B2 Methods to prepare penta-1,4-dien-3-ones and substituted cyclohexanones and derivatives with antitumoral and antiparasitic properties, the compounds and their uses UNIVERSIDADE BANDEIRANTE DE SAO PAULO-ACADEMIA, PAULISTA ANCHIETA S/C LTDA (BR) 2014-10-14 — — US disclosed
EP-2054365-B1 METHODS TO PREPARE PENTA-1,4-DIEN-3-ONES AND SUBSTITUTED CYCLOHEXANONES AND DERIVATIVES WITH ANTITUMORAL AND ANTIPARASITIC PROPERTIES, THE COMPOUNDS AND THEIR USES UNIBAN UNIVERSIDADE BANDEIRANTE DE S O PAULO (BR) 2014-09-24 — — EP disclosed
US-20100029763-A1 METHODS TO PREPARE PENTA-1,4-DIEN-3-ONES AND SUBSTITUTED CYCLOHEXANONES AND DERIVATIVES WITH ANTITUMORAL AND ANTIPARASITIC PROPERTIES, THE COMPOUNDS AND THEIR USES UNIVERSIDADE BANDEIRANTE DE SAO PAULO-ACADEMIA, PAULISTA ANCHIETA S/C LTDA (BR) 2010-02-04 — — 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-20100029763-A1 METHODS TO PREPARE PENTA-1,4-DIEN-3-ONES AND SUBSTITUTED CYCLOHEXANONES AND DERIVATIVES WITH ANTITUMORAL AND ANTIPARASITIC PROPERTIES, THE COMPOUNDS AND THEIR USES CASP3, CYP8B1, DERA MGAM 2219/4885GAA 364/4885SI 483/4885

“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.