SCHEMBL3970539

SCHEMBL3970539

CC(C)(Sc1ccc(OCc2cccc3cn(-c4ccc(C(F)(F)F)cc4)nc23)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.42
PPARD Q03181 7/20 0.42
HDAC3 O15379 3/20 0.42
HDAC4 P56524 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
KDR P35968 2/20 0.42
PPARA Q07869 4/20 0.39
PARP2 Q9UGN5 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39
ADORA3 P0DMS8 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
FFAR1 O14842 1/20 0.36

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
SCHEMBL5708202 0.91 PARP1 (0.40) PARP1PPARDHDAC3HDAC4HDAC1
SCHEMBL3964471 0.86 PPARD (0.52) PARP1PPARDHDAC3HDAC4HDAC1
SCHEMBL5708200 0.82 PARP1 (0.38) PARP1PPARDHDAC3HDAC4HDAC1
SCHEMBL3964282 0.81 PPARD (0.41) PPARDPPARAMRGPRX4FFAR1FFAR4
SCHEMBL3960962 0.81 PPARD (0.56) PPARDPPARA
SCHEMBL3964883 0.81 PPARD (0.42) PPARDPPARAMRGPRX4FFAR1CA12
SCHEMBL3965691 0.81 PPARA (0.42) PPARDPPARAMRGPRX4FFAR1
SCHEMBL5708249 0.80 ADORA3 (0.40) PPARDPPARAADORA3
SCHEMBL3960605 0.79 PPARA (0.46) PARP1PPARDPPARAPARP2PARP3
SCHEMBL4178494 0.78 PPARA (0.51) PARP1PPARDHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544707-B2 Bicyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-06-09 US claimed
US-20070106081-A1 Bicyclic derivatives as ppar modulators ELI LILLY AND COMPANY 2007-05-10 US claimed
US-7544707-B2 Bicyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-06-09 US disclosed
US-7544707-B2 Bicyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-06-09 US disclosed
US-7544707-B2 Bicyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-06-09 US disclosed
US-20070106081-A1 Bicyclic derivatives as ppar modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070106081-A1 Bicyclic derivatives as ppar modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070106081-A1 Bicyclic derivatives as ppar modulators ELI LILLY AND COMPANY 2007-05-10 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-20070106081-A1 Bicyclic derivatives as ppar modulators PPARD, PPARA, PPARG PARP1 3140/4885PPARD 1/4885HDAC3 87/4885

“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.