SCHEMBL2769712

SCHEMBL2769712

O=C(O)COc1cccc([CH]CCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.53
ALOX15 P16050 1/20 0.53
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
PPARG P37231 1/20 0.52
LMNA P02545 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PTGIR P43119 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
POLB P06746 1/20 0.50
PTPN7 P35236 1/20 0.49
MAPK1 P28482 1/20 0.47
FFAR1 O14842 2/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL2770487 0.86 LMNA (0.49) PPARAMAOAMAOBPPARGLMNA
SCHEMBL2769996 0.83 MAOA (0.45) PPARAMAOAMAOBPPARGLMNA
SCHEMBL2769875 0.82 LMNA (0.52) PPARAALOX15PPARGLMNAMEN1
SCHEMBL2768776 0.82 LMNA (0.52) PPARAPPARGLMNAALDH1A1POLB
SCHEMBL353914 0.82 MAOA (0.61) PPARAALOX15MAOAMAOBPPARG
SCHEMBL2769968 0.81 HPGD (0.52) PPARAMAOAMAOBPPARGLMNA
SCHEMBL4416397 0.80 ALOX15 (0.61) PPARAALOX15MAOAMAOBPPARG
SCHEMBL2769715 0.79 PPARA (0.74) PPARAALOX15PPARGLMNAPTGIR
SCHEMBL2769357 0.78 FAAH (0.48) MAOALMNAMEN1KMT2AKDM4E
SCHEMBL5942013 0.77 LMNA (0.58) PPARAALOX15PPARGLMNAMEN1

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 10 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
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

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 PPARA 4812/4885ALOX15 2886/4885MAOA 3442/4885
US-20120130076-A1 Synthetic Multimerizing Agents FKBP1B, FKBP2, FKBP14 PPARA 4156/4885ALOX15 3977/4885MAOA 2979/4885
US-20040006233-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 PPARA 4253/4885ALOX15 4190/4885MAOA 2838/4885
US-20030036654-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 PPARA 4414/4885ALOX15 3790/4885MAOA 3659/4885

“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.