SCHEMBL3033649

SCHEMBL3033649

O=Cc1ccc(OCc2cccc(C(F)(F)F)c2)nc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
ALDH1A1 P00352 1/20 0.67
MRGPRX4 Q96LA9 1/20 0.56
MAPT P10636 2/20 0.54
SLC2A1 P11166 1/20 0.53
MAOB P27338 10/20 0.49
IDO1 P14902 2/20 0.49
MAOA P21397 3/20 0.48
KDM1A O60341 2/20 0.48
NR4A2 P43354 2/20 0.48
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
HTT P42858 1/20 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
SCHEMBL16398861 0.86 MRGPRX4 (0.65) POLBL3MBTL1ALDH1A1MRGPRX4MAPT
SCHEMBL24400852 0.83 ALDH1A1 (0.54) POLBL3MBTL1ALDH1A1MRGPRX4MAOB
SCHEMBL31395021 0.83 POLB (0.53) POLBL3MBTL1ALDH1A1MRGPRX4MAPT
SCHEMBL12517068 0.82 MAPT (0.68) POLBL3MBTL1ALDH1A1MRGPRX4MAPT
SCHEMBL31395099 0.82 MAPT (0.68) POLBL3MBTL1ALDH1A1MRGPRX4MAPT
SCHEMBL3040045 0.81 SLC2A1 (0.57) MRGPRX4SLC2A1MAOBIDO1MAOA
SCHEMBL3037641 0.80 MRGPRX4 (0.57) POLBL3MBTL1MRGPRX4MAPTSLC2A1
SCHEMBL876853 0.80 L3MBTL1 (1.00) POLBL3MBTL1ALDH1A1MAPT
SCHEMBL16762095 0.80 MRGPRX4 (0.53) POLBL3MBTL1ALDH1A1MRGPRX4MAPT
SCHEMBL3042303 0.80 MRGPRX4 (0.74) L3MBTL1MRGPRX4SLC2A1MAOBMAOA

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
CN-102387704-A Agonists and antagonists of the S1P5 receptor, and methods of uses thereof ABBOTT LAB 2012-03-21 CN disclosed
EP-2395835-A1 AGONISTS AND ANTAGONISTS OF THE SIP5 RECEPTOR, AND METHODS OF USES THEREOF Abbott Laboratories (US) 2011-12-21 EP disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 WO disclosed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 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 (1 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-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof S1PR5, LPAR5, S1PR1 POLB 4840/4885L3MBTL1 2701/4885ALDH1A1 1328/4885

“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.