SCHEMBL3040544

SCHEMBL3040544

CCOC(=O)C1CCC(Oc2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.63
EGFR P00533 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.59
LTA4H P09960 1/20 0.55
LMNA P02545 1/20 0.53
ALDH1A1 P00352 2/20 0.51
NR1H4 Q96RI1 1/20 0.51
NPC1 O15118 1/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 1/20 0.49
PKM P14618 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAOB P27338 1/20 0.48
ADAM17 P78536 1/20 0.47
CCR8 P51685 1/20 0.47
ALOX5 P09917 1/20 0.47
POLB P06746 1/20 0.47
ACACB O00763 1/20 0.47

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
SCHEMBL10184959 0.89 EGFR (0.57) MAPTEGFRL3MBTL1LMNAALDH1A1
SCHEMBL240105 0.87 EPHX2 (0.54) MAPTEGFRL3MBTL1LTA4HLMNA
SCHEMBL10147938 0.87 EPHX2 (0.54) MAPTEGFRL3MBTL1LTA4HLMNA
SCHEMBL665140 0.87 EPHX2 (0.54) MAPTEGFRL3MBTL1LTA4HLMNA
SCHEMBL30929539 0.87 ALDH1A1 (0.54) LTA4HALDH1A1NPC1TSHRRAB9A
SCHEMBL1749787 0.87 ALDH1A1 (0.54) LTA4HALDH1A1NPC1TSHRRAB9A
SCHEMBL20455786 0.82 MAOB (0.61) MAPTL3MBTL1LTA4HLMNANPC1
SCHEMBL17103459 0.81 PKM (0.55) MAPTEGFRL3MBTL1LTA4HALDH1A1
SCHEMBL17103461 0.81 PKM (0.55) MAPTEGFRL3MBTL1LTA4HALDH1A1
SCHEMBL27377437 0.81 PKM (0.55) MAPTEGFRL3MBTL1LTA4HALDH1A1

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
EP-2395835-A1 AGONISTS AND ANTAGONISTS OF THE SIP5 RECEPTOR, AND METHODS OF USES THEREOF Abbott Laboratories (US) 2011-12-21 EP claimed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US claimed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 WO claimed
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 MAPT 3005/4885EGFR 2540/4885L3MBTL1 2701/4885

“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.