SCHEMBL3226975

SCHEMBL3226975

CCOC(=O)c1oc(Br)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
PLK1 P53350 1/20 0.43
MAOB P27338 1/20 0.43
KDM4E B2RXH2 5/20 0.42
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HSD17B10 Q99714 3/20 0.42
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
AHR P35869 1/20 0.42
CA12 O43570 2/20 0.42

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
SCHEMBL2171267 0.81 ALDH1A1 (0.42) KDM4EMAPTHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL5548523 0.80 KDM4E (0.50) L3MBTL1PLK1KDM4EMAPTNPC1
SCHEMBL27629281 0.79 L3MBTL1 (0.49) L3MBTL1PLK1MAOBKDM4EMAPT
SCHEMBL27622233 0.78 KDM4E (0.42) L3MBTL1PLK1MAOBKDM4EPOLB
SCHEMBL4771465 0.77 L3MBTL1 (0.48) L3MBTL1PLK1KDM4EMAPTNPC1
SCHEMBL3977434 0.77 KMT2A (0.47) L3MBTL1PLK1KDM4ENPSR1MAPT
SCHEMBL4772783 0.76 L3MBTL1 (0.47) L3MBTL1PLK1MAOBKDM4ENPSR1
SCHEMBL623140 0.75 MAOB (0.49) L3MBTL1MAOBKDM4EPOLBNPSR1
SCHEMBL4367459 0.75 KMT2A (0.55) KDM4EPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL10102792 0.71 AKR1B1 (0.46) L3MBTL1MAOBKDM4EMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063041-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A PHARM. CO., LTD. (KR) 2010-03-11 US disclosed
US-20100063041-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A PHARM. CO., LTD. (KR) 2010-03-11 US disclosed
US-20100063041-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A PHARM. CO., LTD. (KR) 2010-03-11 US disclosed
WO-2008108602-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A PHARM. CO., LTD. (KR) 2008-09-12 WO disclosed
WO-2008108602-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A PHARM. CO., LTD. (KR) 2008-09-12 WO disclosed
EP-1183251-B1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA SA (ES) 2004-02-11 EP disclosed
US-6683096-B2 Indolylpiperidine derivatives as antihistaminic and antiallergic agents ALMIRALL PRODESFARMA, S.A. (ES) 2004-01-27 US disclosed
US-20020147344-A1 Indolylpiperidine derivatives as antihistaminic and antiallergic agents ALMIRALL PRODESFARMA, S.A. (ES) 2002-10-10 US disclosed
EP-1183251-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2002-03-06 EP disclosed
WO-2000075130-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA, S.A. (ES) 2000-12-14 WO disclosed
US-4097496-A ANTIPROSTAGLANDIN ACTIVITY HOECHST AKTIENGESELLSCHAFT (DT) 1978-06-27 US disclosed
US-4083990-A ANTIPROSTAGLANDIN EFFECT HOECHST AKTIENGESELLSCHAFT (DT) 1978-04-11 US disclosed
US-3984459-A ANTI-PROSTAGLANDINS HOECHST AKTIENGESELLSCHAFT (DT) 1976-10-05 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 (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-20020147344-A1 Indolylpiperidine derivatives as antihistaminic and antiallergic agents HRH2, HRH1, HRH4 L3MBTL1 4609/4885PLK1 4636/4885MAOB 209/4885
US-20100063041-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME PPARA, PPARG, PPARD L3MBTL1 4667/4885PLK1 3205/4885MAOB 3652/4885

“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.