SCHEMBL499524

SCHEMBL499524

COc1cc(C=CC(=O)c2cccc(O)c2)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 1.00
ABCB1 P08183 4/20 0.84
NR1H4 Q96RI1 2/20 0.76
ALDH1A1 P00352 2/20 0.68
LMNA P02545 1/20 0.68
MAPT P10636 1/20 0.68
HTT P42858 1/20 0.68
CYP1A1 P04798 2/20 0.65
CYP1A2 P05177 2/20 0.65
CYP1B1 Q16678 2/20 0.65
KRAS P01116 5/20 0.65
CA1 P00915 3/20 0.65
CA2 P00918 3/20 0.65
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
CYP2C8 P10632 1/20 0.64
CYP2D6 P10635 1/20 0.64
ATM Q13315 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64

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
SCHEMBL29803073 1.00 ABCG2 (1.00) ABCG2ABCB1NR1H4ALDH1A1LMNA
SCHEMBL14922407 1.00 ABCG2 (1.00) ABCG2ABCB1NR1H4ALDH1A1LMNA
SCHEMBL29803176 0.92 ABCG2 (0.84) ABCG2ABCB1NR1H4ALDH1A1LMNA
SCHEMBL21643340 0.92 ABCG2 (0.84) ABCG2ABCB1NR1H4ALDH1A1LMNA
SCHEMBL29803395 0.91 ABCG2 (0.84) ABCG2ABCB1NR1H4ALDH1A1LMNA
SCHEMBL21643410 0.91 ABCG2 (0.84) ABCG2ABCB1NR1H4ALDH1A1LMNA
SCHEMBL611778 0.86 NR1H4 (1.00) ABCG2ABCB1NR1H4ALDH1A1MAPT
SCHEMBL499242 0.86 NR1H4 (1.00) ABCG2ABCB1NR1H4ALDH1A1MAPT
SCHEMBL29803121 0.86 NR1H4 (1.00) ABCG2ABCB1NR1H4ALDH1A1MAPT
SCHEMBL11796150 0.86 ABCB1 (0.83) ABCG2ABCB1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436183-B2 Synthetic multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2013-05-07 US disclosed
US-20120130076-A1 Synthetic Multimerizing Agents ARIAD PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-8106191-B2 Compounds based on N- acyl-pipecolyl and N-acyl-prolyl ligand moieties for multimerizing chimeric proteins containing immunophilin-derived domains ARIAD PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
EP-0888303-B1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERIZING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN-DERIVED DOMAINS ARIAD PHARMA INC (US) 2010-04-21 EP disclosed
EP-0776327-B1 NEW MULTIMERIZING AGENTS ARIAD GENE THERAPEUTICS INC (US) 2005-07-06 EP disclosed
US-20040006233-A1 Synthetic multimerizing agents ARIAD PHARMACEUTICALS, INC. 2004-01-08 US disclosed
US-20030036654-A1 Synthetic multimerizing agents HOLT DENNIS A (US) 2003-02-20 US disclosed
US-20020161240-A1 Synthetic multimerizing agents ARIAD GENE THERAPEUTICS, INC. 2002-10-31 US disclosed
US-6150527-A Synthetic multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
US-6133456-A DIMERS OF THE MACROCYCLIC NATURAL PRODUCT, FK506, COVALENTLY ATTACHED TO EACH OTHER VIA A SYNTHETIC LINKER MOIETY ARIAD GENE THERAPEUTICS, INC. (US) 2000-10-17 US disclosed
EP-0888303-A1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERIZING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN-DERIVED DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 1999-01-07 EP disclosed
EP-0776327-A4 NEW MULTIMERIZING AGENTS ARIAD GENE THERAPEUTICS INC (US) 1997-12-10 EP disclosed
WO-1997031899-A1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERISING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN DERIVED DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 1997-09-04 WO disclosed
WO-1997031898-A1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERIZING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN-DERIVED DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 1997-09-04 WO disclosed
EP-0776327-A1 NEW MULTIMERIZING AGENTS ARIAD GENE THERAPEUTICS, INC. (US) 1997-06-04 EP disclosed
WO-1996006097-A1 NEW MULTIMERIZING AGENTS ARIAD GENE THERAPEUTICS, INC. (US) 1996-02-29 WO 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 (4 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-20020161240-A1 Synthetic multimerizing agents SSB, F13B, LCP2 ABCG2 3535/4885ABCB1 3476/4885NR1H4 3357/4885
US-20120130076-A1 Synthetic Multimerizing Agents FKBP1B, FKBP2, FKBP14 ABCG2 1651/4885ABCB1 2386/4885NR1H4 2350/4885
US-20040006233-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 ABCG2 1532/4885ABCB1 2012/4885NR1H4 2136/4885
US-20030036654-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 ABCG2 1555/4885ABCB1 2126/4885NR1H4 1495/4885

“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.