SCHEMBL2998997

SCHEMBL2998997

COc1cccc(-c2ccc(C(C)=O)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.58
PLG P00747 2/20 0.58
PLAT P00750 2/20 0.58
HSD17B2 P37059 2/20 0.58
MAPT P10636 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TRPV1 Q8NER1 1/20 0.56
HDAC4 P56524 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
RXRA P19793 3/20 0.54
RXRB P28702 2/20 0.54
NAAA Q02083 1/20 0.53
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
ABL1 P00519 2/20 0.51
ABCB1 P08183 2/20 0.51
BCR P11274 2/20 0.51

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
SCHEMBL30837207 1.00 PLAU (0.58) PLAUPLGPLATHSD17B2MAPT
SCHEMBL4322553 0.90 MAPT (0.59) PLAUPLGPLATHSD17B2MAPT
SCHEMBL30837176 0.88 HSD17B2 (0.61) HSD17B2HDAC4HDAC8CES2CES1
SCHEMBL30278441 0.86 RXRA (0.72) PLAUPLGPLATHSD17B2TRPV1
SCHEMBL505652 0.86 RXRA (0.72) PLAUPLGPLATHSD17B2TRPV1
Acetic Acid SCHEMBL28960935 0.85 HDAC4 (0.61) PLAUPLGPLATHSD17B2TRPV1
SCHEMBL6637315 0.85 PLAU (0.57) PLAUPLGPLATHSD17B2TRPV1
SCHEMBL30958376 0.85 PLAU (0.67) PLAUPLGPLATHSD17B2TRPV1
SCHEMBL4995249 0.85 PLAU (0.67) PLAUPLGPLATHSD17B2TRPV1
SCHEMBL6716525 0.85 PLAU (0.60) PLAUPLGPLATHSD17B2MAPT

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
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
US-20100184977-A1 Nickel or Iron Catalysed Carbon-Carbon Coupling Reaction of Arylenes, Alkenes and Alkines SALTIGO GMBH (DE) 2010-07-22 US disclosed
US-20100184977-A1 Nickel or Iron Catalysed Carbon-Carbon Coupling Reaction of Arylenes, Alkenes and Alkines SALTIGO GMBH (DE) 2010-07-22 US disclosed
US-20100184977-A1 Nickel or Iron Catalysed Carbon-Carbon Coupling Reaction of Arylenes, Alkenes and Alkines SALTIGO GMBH (DE) 2010-07-22 US disclosed
EP-1924539-A1 NICKEL OR IRON CATALYSED CARBON-CARBON COUPLING REACTION OF ARYLENES, ALKENES AND ALKINES Saltigo GmbH (DE) 2008-05-28 EP disclosed
WO-2007031511-A1 NICKEL OR IRON CATALYSED CARBON-CARBON COUPLING REACTION OF ARYLENES, ALKENES AND ALKINES SALTIGO GMBH (DE) 2007-03-22 WO disclosed
WO-2007031511-A1 NICKEL OR IRON CATALYSED CARBON-CARBON COUPLING REACTION OF ARYLENES, ALKENES AND ALKINES SALTIGO GMBH (DE) 2007-03-22 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-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof S1PR5, LPAR5, S1PR1 PLAU 3012/4885PLG 1214/4885PLAT 1450/4885
US-20100184977-A1 Nickel or Iron Catalysed Carbon-Carbon Coupling Reaction of Arylenes, Alkenes and Alkines MON2, ZRANB2, GRIA2 PLAU 4743/4885PLG 4580/4885PLAT 4839/4885

“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.