SCHEMBL5584443

SCHEMBL5584443

COCOc1cccc2oc(C(=O)O)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
GPR35 Q9HC97 1/20 0.48
CSNK2A1 P68400 4/20 0.47
KDM4E B2RXH2 3/20 0.47
CSNK2A2 P19784 3/20 0.47
CSNK2B P67870 3/20 0.47
CSNK2A3 Q8NEV1 3/20 0.47
USP2 O75604 1/20 0.47
PTGS1 P23219 1/20 0.47
F2RL3 Q96RI0 2/20 0.46
TP53 P04637 1/20 0.45
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PIM1 P11309 3/20 0.44

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
SCHEMBL15349649 0.89 F2RL3 (0.46) LMNAKDM4EF2RL3MAPTTSHR
SCHEMBL29749775 0.88 LMNA (0.47) LMNATDP1GPR35CSNK2A1KDM4E
SCHEMBL28372477 0.88 LMNA (0.47) LMNATDP1GPR35CSNK2A1KDM4E
SCHEMBL5584844 0.86 MAPT (0.49) LMNAKDM4EF2RL3MAPTHTT
SCHEMBL15359239 0.85 F2RL3 (0.44) F2RL3MAPTHPGDHTTALDH1A1
SCHEMBL15349456 0.85 F2RL3 (0.43) F2RL3MAPTHPGDTSHRHTT
SCHEMBL913689 0.84 CA12 (0.54) LMNATDP1GPR35CSNK2A1KDM4E
Dimethylamine SCHEMBL4816250 0.82 CYP2A6 (0.52) LMNATDP1GPR35CSNK2A1KDM4E
SCHEMBL27294526 0.82 EDNRA (0.56) LMNATDP1GPR35CSNK2A1KDM4E
SCHEMBL11457084 0.80 MEN1 (0.52) LMNATDP1GPR35MAPTCYP2A6

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
CN-114761410-B Pyrrolopyrimidinone compounds and application thereof 广州必贝特医药股份有限公司 2023-08-25 CN disclosed
WO-2022213932-A1 PYRROLOPYRIMIDINONE COMPOUND AND APPLICATION THEREOF 广州必贝特医药股份有限公司 2022-10-13 WO disclosed
CN-114761410-A Pyrrolopyrimidinone compounds and application thereof 广州必贝特医药股份有限公司 2022-07-15 CN disclosed
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 EP 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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A LMNA 3559/4885TDP1 1791/4885GPR35 196/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A LMNA 3559/4885TDP1 1791/4885GPR35 196/4885

“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.