SCHEMBL2769968

SCHEMBL2769968

O=C(O)COc1cccc([CH]CCc2ccc3c(c2)OCO3)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.52
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
CALM1 P0DP23 2/20 0.44
PPARA Q07869 2/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
PPARG P37231 1/20 0.43
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL2769712 0.81 PPARA (0.53) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL2768776 0.77 LMNA (0.52) HPGDALDH1A1MAPTHTTLMNA
SCHEMBL2729496 0.76 FKBP1A (0.63) HPGDALDH1A1MAPTKMT2ATRPM8
SCHEMBL2770487 0.74 LMNA (0.49) ALDH1A1LMNAMEN1KMT2APPARA
SCHEMBL2769875 0.73 LMNA (0.52) ALDH1A1LMNAMEN1KMT2APPARA
SCHEMBL353914 0.72 MAOA (0.61) LMNAPPARAPPARGMAOBMAOA
SCHEMBL3812391 0.72 CYP3A4 (0.54) HPGDALDH1A1KDM4EHTTMEN1
SCHEMBL8521889 0.70 CALM1 (0.52) HPGDALDH1A1KDM4ECALM1PPARA
SCHEMBL1430901 0.69 TRPM8 (0.65) ALDH1A1KDM4EMEN1KMT2ACALM1
SCHEMBL2771837 0.69 KDM4E (0.52) ALDH1A1KDM4EHTTLMNAMEN1

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 11 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
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
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

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 HPGD 4096/4885ALDH1A1 4421/4885KDM4E 3586/4885
US-20120130076-A1 Synthetic Multimerizing Agents FKBP1B, FKBP2, FKBP14 HPGD 3763/4885ALDH1A1 4766/4885KDM4E 2207/4885
US-20040006233-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 HPGD 3757/4885ALDH1A1 4740/4885KDM4E 2335/4885
US-20030036654-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 HPGD 3558/4885ALDH1A1 4760/4885KDM4E 2547/4885

“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.