SCHEMBL5863231

SCHEMBL5863231

CCOC(=O)c1cccc(-c2ccc(C)cc2)c1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.56
HPGD P15428 1/20 0.56
GALR1 P47211 1/20 0.53
CYP4F2 P78329 1/20 0.52
CYP4A11 Q02928 1/20 0.52
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL4193217 0.93 TP53 (0.61) TP53POLBHPGDGALR1CYP4F2
SCHEMBL29617015 0.92 TP53 (0.62) TP53POLBHPGDGALR1CYP4F2
SCHEMBL2404818 0.90 NPC1 (0.59) TP53POLBHPGDALDH1A1MAPT
SCHEMBL2771575 0.89 CA12 (0.62) TP53POLBHPGD
SCHEMBL5863201 0.89 TP53 (0.57) TP53POLBHPGDGALR1CYP4F2
SCHEMBL12812376 0.88 CYP1A2 (0.54) TP53POLBHPGD
SCHEMBL1133039 0.88 TP53 (0.53) TP53POLBHPGDGALR1MAPT
SCHEMBL2998008 0.86 HPGD (0.64) HPGDMEN1ALDH1A1LMNAMAPK1
SCHEMBL27542212 0.86 NPC1 (0.52) TP53POLBHPGDCYP4F2CYP4A11
SCHEMBL15183798 0.86 MEN1 (0.62) MEN1MAPTKMT2A

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
EP-1882684-B1 PYRROLIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-12-10 EP disclosed
US-7585886-B2 Pyrrolidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-20090062366-A1 Pyrrolidine derivative or salt thereof ASTELLAS PHARAMA INC. (JP) 2009-03-05 US disclosed
US-7132456-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2006-11-07 US disclosed
US-20060052449-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2006-03-09 US disclosed
EP-1572637-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-09-14 EP disclosed
WO-2004052848-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-06-24 WO disclosed
US-5545645-A Heterocyclic derivatives in the treatment of ischaemia and related diseases SYNTEX PHARMACEUTICALS, LIMITED (GB) 1996-08-13 US disclosed
EP-0693062-A1 HETEROCYCLIC DERIVATIVES IN THE TREATMENT OF ISCHAEMIA AND RELATED DISEASES SYNTEX PHARMACEUTICALS LTD. (GB) 1996-01-24 EP disclosed
US-5428037-A Piperazine derivatives; calcium and sodium channel antagonists SYNTEX PHARMACEUTICALS, LTD. (GB) 1995-06-27 US disclosed
WO-1994024116-A1 HETEROCYCLIC DERIVATIVES IN THE TREATMENT OF ISCHAEMIA AND RELATED DISEASES SYNTEX PHARMACEUTICALS LIMITED (GB) 1994-10-27 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 (2 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-20090062366-A1 Pyrrolidine derivative or salt thereof CASR, CYP2R1, PTH1R TP53 2053/4885POLB 2422/4885HPGD 553/4885
US-20060052449-A1 Novel mch receptor antagonists MCHR1, MCHR2, MC1R TP53 4633/4885POLB 4500/4885HPGD 4106/4885

“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.