SCHEMBL6853712

SCHEMBL6853712

COc1cc(C=C2CCC(=Cc3cc(OC)c(O)c(OC)c3)C2=O)cc(OC)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 1.00
MEN1 O00255 5/20 1.00
KMT2A Q03164 5/20 1.00
LMNA P02545 4/20 1.00
CYP3A4 P08684 4/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
POLB P06746 3/20 1.00
KDM4E B2RXH2 2/20 1.00
HTT P42858 2/20 1.00
CYP2B6 P20813 2/20 1.00
XBP1 P17861 2/20 1.00
HPGD P15428 1/20 1.00
MPI P34949 1/20 1.00
RECQL P46063 1/20 1.00
BLM P54132 1/20 1.00
MCL1 Q07820 1/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
CYP2C9 P11712 4/20 0.69
CYP1A2 P05177 4/20 0.69
MAPK1 P28482 3/20 0.69

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
SCHEMBL6855774 1.00 MAPT (1.00) MAPTMEN1KMT2ALMNACYP3A4
SCHEMBL6851637 0.93 MEN1 (0.88) MAPTMEN1KMT2ALMNACYP3A4
SCHEMBL6851631 0.93 MEN1 (0.88) MAPTMEN1KMT2ALMNACYP3A4
SCHEMBL1524476 0.89 MAPT (0.80) MAPTMEN1KMT2ALMNACYP3A4
SCHEMBL1524478 0.89 MAPT (0.80) MAPTMEN1KMT2ALMNACYP3A4
SCHEMBL24510589 0.87 MAPT (0.76) MAPTMEN1KMT2ALMNACYP3A4
SCHEMBL5691813 0.85 MAPT (0.74) MAPTMEN1KMT2ALMNACYP3A4
SCHEMBL624663 0.85 MAPT (0.75) MAPTMEN1KMT2ALMNACYP3A4
SCHEMBL624662 0.85 MAPT (0.75) MAPTMEN1KMT2ALMNACYP3A4
SCHEMBL29644354 0.83 LMNA (0.73) MAPTMEN1KMT2ALMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777447-B2 ANTIINFLAMMATORY AGENTS, BACTERICIDES, OXIDATION RESISTANCE, ANTICANCER AGENTS GADJAH MADA, FACULTY OF PHARMACY, UNIVERSITY OF, THE (ID) 2004-08-17 US claimed
US-20030092772-A1 Derivatives of benzylidene cyclohexanone, benzylidene cyclopentanone, and benzylidene acetone, and therapeutic uses thereof GADJAH MADA, FACULTY OF PHARMACY, UNIVERSITY OF, THE (ID) 2003-05-15 US claimed
US-6777447-B2 ANTIINFLAMMATORY AGENTS, BACTERICIDES, OXIDATION RESISTANCE, ANTICANCER AGENTS GADJAH MADA, FACULTY OF PHARMACY, UNIVERSITY OF, THE (ID) 2004-08-17 US disclosed
US-20030092772-A1 Derivatives of benzylidene cyclohexanone, benzylidene cyclopentanone, and benzylidene acetone, and therapeutic uses thereof GADJAH MADA, FACULTY OF PHARMACY, UNIVERSITY OF, THE (ID) 2003-05-15 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-20030092772-A1 Derivatives of benzylidene cyclohexanone, benzylidene cyclopentanone, and benzylidene acetone, and therapeutic uses thereof GSTK1, GSTP1, CAT MAPT 3557/4885MEN1 4884/4885KMT2A 4769/4885

“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.