SCHEMBL2789632

SCHEMBL2789632

CC(C)(C)OC(=O)COc1cccc([CH]CCc2cccnc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
GPR132 Q9UNW8 4/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.40
PPARA Q07869 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
PTGER2 P43116 2/20 0.39
HTT P42858 1/20 0.39
PPARG P37231 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP1B1 Q16678 1/20 0.38
NOTUM Q6P988 1/20 0.38

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
SCHEMBL2769996 0.87 MAOA (0.45) SMN1; SMN2ALDH1A1LMNACYP2C9PPARA
SCHEMBL2789633 0.85 PPARA (0.49) GRM2SMN1; SMN2GPR132PPARAKDM4E
SCHEMBL2770487 0.85 LMNA (0.49) SMN1; SMN2ALDH1A1LMNATHRBGPR132
SCHEMBL499351 0.81 GPR132 (0.47) GRM2ALDH1A1GPR132HTT
SCHEMBL499172 0.80 GPR132 (0.41) GRM2SMN1; SMN2GPR132KDM4E
SCHEMBL2769638 0.79 LMNA (0.48) SMN1; SMN2ALDH1A1LMNAPPARARAB9A
SCHEMBL2768427 0.79 ALDH1A1 (0.44) ALDH1A1CYP2C9PPARARAB9ACYP3A4
SCHEMBL528101 0.78 MAOA (0.49) SMN1; SMN2ALDH1A1LMNACYP2C9KDM4E
SCHEMBL2087239 0.78 MAPT (0.47) SMN1; SMN2KDM4ERAB9ANOTUM
SCHEMBL31637595 0.78 MAPT (0.47) SMN1; SMN2KDM4ERAB9ANOTUM

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 9 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

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 GRM2 2053/4885SMN1; SMN2 1404/4885ALDH1A1 4421/4885
US-20120130076-A1 Synthetic Multimerizing Agents FKBP1B, FKBP2, FKBP14 GRM2 2325/4885SMN1; SMN2 4349/4885ALDH1A1 4766/4885
US-20040006233-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 GRM2 2298/4885SMN1; SMN2 4314/4885ALDH1A1 4740/4885
US-20030036654-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 GRM2 1947/4885SMN1; SMN2 4117/4885ALDH1A1 4760/4885

“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.