SCHEMBL12420733

SCHEMBL12420733

CN(CCC1CCCCC1)c1ccc(C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.45
ALOX5 P09917 2/20 0.45
KMT2A Q03164 3/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
SRD5A2 P31213 1/20 0.42
TRPV1 Q8NER1 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
LTC4S Q16873 1/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
PDK1 Q15118 1/20 0.39

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
SCHEMBL12420737 0.85 PTGES (0.53) PTGESALOX5KMT2AHDAC3HDAC1
SCHEMBL11209572 0.81 BCHE (0.46)
SCHEMBL5236571 0.77 PTGES (0.45) PTGESALOX5KMT2AHDAC3HDAC1
SCHEMBL22533341 0.76 LPAR1 (0.44) PTGESALOX5KMT2ANPSR1SRD5A2
SCHEMBL7724186 0.75 SIGMAR1 (0.40) KMT2A
SCHEMBL1663690 0.74 L3MBTL1 (0.58) KMT2ARXRARXRBRXRGSRD5A2
SCHEMBL11146761 0.74 HCAR3 (0.58) ALOX5KMT2ARXRARXRBRXRG
SCHEMBL29265630 0.74 NPC1 (0.49) KMT2ARXRARXRBRXRGSRD5A2
SCHEMBL10794245 0.73 MEN1 (0.56) KMT2AMEN1POLBLTC4SPDK1
SCHEMBL12568921 0.73 KMT2A (0.54) PTGESALOX5KMT2ASRD5A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US disclosed
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US disclosed
EP-2065369-A1 UREA COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-06-03 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-20110172230-A1 UREA COMPOUND OR SALT THEREOF FAAH, FAAH2, UTS2R PTGES 400/4885ALOX5 38/4885KMT2A 1156/4885

“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.