SCHEMBL3036754

SCHEMBL3036754

Cc1cc(OCc2ccc(Cl)c(Cl)c2)ccc1Br

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 1/20 0.50
S1PR1 P21453 1/20 0.50
ROCK1 Q13464 1/20 0.50
S1PR5 Q9H228 1/20 0.50
MAOB P27338 7/20 0.49
MEN1 O00255 1/20 0.48
SLC26A4 O43511 1/20 0.48
KMT2A Q03164 1/20 0.48
MRGPRX4 Q96LA9 2/20 0.48
MAOA P21397 1/20 0.48
CYP2D6 P10635 1/20 0.47
IDO1 P14902 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FFAR1 O14842 1/20 0.44
ADAM17 P78536 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
SCHEMBL11118881 0.82 MRGPRX4 (0.59) S1PR1S1PR5MAOBMEN1SLC26A4
SCHEMBL12584867 0.79 MAOB (0.54) S1PR1S1PR5MAOBMEN1SLC26A4
SCHEMBL1508212 0.79 APP (0.56) S1PR1S1PR5MAOBMRGPRX4MAOA
SCHEMBL13221277 0.78 PDGFRA (0.50) PDGFRAS1PR1ROCK1S1PR5MAOB
SCHEMBL3031888 0.78 MRGPRX4 (0.57) PDGFRAS1PR1ROCK1S1PR5MAOB
SCHEMBL749857 0.78 MEN1 (0.59) MAOBMEN1KMT2AMAOASMN1; SMN2
SCHEMBL4616641 0.76 APP (0.50) MAOBMEN1KMT2AMAOASMN1; SMN2
SCHEMBL508222 0.76 IDO1 (0.52) S1PR1S1PR5MAOBMRGPRX4MAOA
SCHEMBL31395253 0.75 CYP2D6 (0.53) S1PR1S1PR5MAOBMEN1SLC26A4
SCHEMBL15704181 0.75 MAOB (0.50) PDGFRAS1PR1ROCK1S1PR5MAOB

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 6 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 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 PDGFRA 159/4885S1PR1 3/4885ROCK1 1291/4885

“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.