SCHEMBL5338615

SCHEMBL5338615

CCC1(c2ccc(OCc3ccccc3)cc2)OC1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
MAOB P27338 1/20 0.49
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
ALOX5 P09917 3/20 0.46
MMP2 P08253 1/20 0.46
MMP13 P45452 1/20 0.46
ADAM17 P78536 1/20 0.46
PARP10 Q53GL7 1/20 0.46
LMNA P02545 2/20 0.45
PTGS1 P23219 2/20 0.45
PTGS2 P35354 2/20 0.45
CYP1A2 P05177 1/20 0.45
SLC6A2 P23975 1/20 0.45
CYP2C19 P33261 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HIF1A Q16665 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL9692290 0.73 NPC1 (0.50) MAOBNR4A1NR4A2NR4A3ALOX5
SCHEMBL5338612 0.72 MAOB (0.49) L3MBTL1MAOBNR4A1NR4A2NR4A3
Benzylphenylether SCHEMBL15539953 0.69 FFAR1 (0.64) L3MBTL1MAOBNR4A1NR4A2NR4A3
SCHEMBL14347696 0.69 MAOB (0.59) L3MBTL1MAOBNR4A1NR4A2NR4A3
SCHEMBL339813 0.68 LMNA (0.82) L3MBTL1MAOBNR4A1NR4A2NR4A3
SCHEMBL27367676 0.68 LMNA (0.82) L3MBTL1MAOBNR4A1NR4A2NR4A3
SCHEMBL14347698 0.68 NR4A1 (0.57) MAOBNR4A1NR4A2NR4A3ALOX5
SCHEMBL30988239 0.68 LMNA (0.58) L3MBTL1MAOBNR4A1NR4A2NR4A3
SCHEMBL25315317 0.68 NR4A1 (0.53) MAOBNR4A1NR4A2NR4A3ALOX5
SCHEMBL102983 0.67 RAB9A (0.83) L3MBTL1MAOBNR4A1NR4A2NR4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223881-B2 Process for the preparation of new antidiabetic agents DR. REDDY'S LABORATORIES LIMITED (IN) 2007-05-29 US disclosed
US-20050096331-A1 Novel compounds and their use in medicine process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES INC. 2005-05-05 US disclosed
US-20030125553-A1 Process for the preparation of new antidiabetic agents DR. REDDY'S LABORATORIES LIMITED 2003-07-03 US disclosed
WO-2003053974-A1 NOVEL COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2003-07-03 WO disclosed
US-6531596-B1 S(-)-2-methoxy-3-(4-(2-(phenoxazin-10-yl)methoxy) phenyl)propionic acid; benzylating p-hydroxybenzaldehyde or tyrosine; reaction with phenoxazinyl mesylate DR. REDDY'S LABORATORIES LTD. (IN) 2003-03-11 US disclosed
EP-1124808-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF NEW ANTIDIABETIC AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-08-22 EP disclosed
WO-2000026200-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF NEW ANTIDIABETIC AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-05-11 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-20030125553-A1 Process for the preparation of new antidiabetic agents GLP1R, GPR119, SLC5A1 L3MBTL1 4718/4885MAOB 2027/4885NR4A1 488/4885
US-20050096331-A1 Novel compounds and their use in medicine process for their preparation and pharmaceutical compositions containing them GPR119, LIPA, CETP L3MBTL1 4721/4885MAOB 2637/4885NR4A1 1415/4885

“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.