SCHEMBL4185477

SCHEMBL4185477

COc1ccc(-c2cc(C(F)(F)F)nn2C(C(=O)O)C(C)C)cc1OC1CCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.42
PTGS2 P35354 3/20 0.41
MAPT P10636 3/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.36
GCGR P47871 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
PTGS1 P23219 2/20 0.36
PDE4D Q08499 3/20 0.35
PDE4A P27815 2/20 0.35
PDE4C Q08493 2/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL4188572 0.89 PDE4B (0.47) PDE4BPTGS2MAPTPOLBKDM4E
SCHEMBL3602947 0.82 PDE4B (0.50) PDE4BPTGS2MAPTPOLBKDM4E
SCHEMBL5197370 0.81 PDE4B (0.44) PDE4BPTGS2MAPTPOLBKDM4E
SCHEMBL3613303 0.79 PTGS2 (0.56) PTGS2MAPTPOLBCYP1A2CYP3A4
SCHEMBL3605228 0.77 PDE4B (0.47) PDE4BPTGS2MAPTPOLBKDM4E
SCHEMBL3611624 0.77 PDE4B (0.44) PDE4BPTGS2MAPTALDH1A1TSHR
SCHEMBL3611903 0.73 CES2 (0.41) PDE4BPTGS2TSHRPTGS1PDE4D
SCHEMBL3599607 0.73 SMN1; SMN2 (0.43) PDE4BMAPTPOLBALDH1A1HPGD
SCHEMBL4192026 0.72 KMT2A (0.43) PDE4BALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL4188645 0.71 PDE4B (0.54) PDE4BPDE4DPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229918-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2004-11-18 US claimed
US-20090221661-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2009-09-03 US disclosed
US-20070254913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-01 US disclosed
US-7226930-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICAL CORPORATION (US) 2007-06-05 US disclosed
US-20040229918-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2004-11-18 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 (3 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-20070254913-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 PDE4B 2/4885PTGS2 328/4885MAPT 3815/4885
US-20090221661-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 PDE4B 2/4885PTGS2 328/4885MAPT 3815/4885
US-20040229918-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 PDE4B 2/4885PTGS2 328/4885MAPT 3815/4885

“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.