SCHEMBL4125263

SCHEMBL4125263

COc1cccc([C@H](O)c2cc(Cl)ccc2N)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.38
AMY1A P0DUB6 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 2/20 0.35
KCNMA1 Q12791 1/20 0.35
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
MAPT P10636 2/20 0.35
ADRA2B P18089 1/20 0.35
PTGS1 P23219 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ABL1 P00519 1/20 0.34
APP P05067 1/20 0.34
JAK2 O60674 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL4119996 1.00 LPAR1 (0.38) LPAR1AMY1AHSP90AA1HSP90AB1CNR2
SCHEMBL4123994 1.00 LPAR1 (0.38) LPAR1AMY1AHSP90AA1HSP90AB1CNR2
SCHEMBL4122138 0.90 TDP1 (0.42) LPAR1CNR2KDM4EKCNMA1HIF1A
SCHEMBL4127991 0.88 ALDH1A1 (0.41) LPAR1HSP90AA1HSP90AB1KCNMA1ALDH1A1
SCHEMBL4117720 0.88 LPAR1 (0.38) LPAR1HSP90AA1HSP90AB1CNR2ALDH1A1
SCHEMBL4125270 0.88 LPAR1 (0.38) LPAR1HSP90AA1HSP90AB1CNR2ALDH1A1
SCHEMBL4679921 0.88 ALDH1A1 (0.43) LPAR1HSP90AA1HSP90AB1ALDH1A1MAPT
SCHEMBL4118453 0.88 AMY1A (0.38) AMY1AHSP90AA1HSP90AB1ALDH1A1TDP1
SCHEMBL4111096 0.88 ALDH1A1 (0.43) LPAR1HSP90AA1HSP90AB1ALDH1A1MAPT
SCHEMBL4109292 0.86 MAPT (0.38) LPAR1HSP90AA1HSP90AB1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 EP 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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR LPAR1 345/4885AMY1A 2258/4885HSP90AA1 4018/4885

“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.