SCHEMBL12420737

SCHEMBL12420737

CN(CC1CCCCC1)c1ccc(C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.53
ALOX5 P09917 2/20 0.53
TRPV1 Q8NER1 1/20 0.52
KMT2A Q03164 3/20 0.47
TAS2R14 Q9NYV8 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46
PDK1 Q15118 3/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SRD5A2 P31213 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL12420733 0.85 PTGES (0.45) PTGESALOX5TRPV1KMT2ATAS2R14
SCHEMBL12420728 0.82 SMN1; SMN2 (0.51) PTGESALOX5TRPV1KMT2AHDAC1
SCHEMBL6882369 0.80 PDK1 (0.46) TRPV1HDAC1HDAC3HDAC2PDK1
SCHEMBL15998771 0.80 TRPV1 (0.46) TRPV1KMT2AMEN1NPC1DAO
SCHEMBL846499 0.80 FFAR1 (0.49) TRPV1NPSR1
SCHEMBL5236571 0.79 PTGES (0.45) PTGESALOX5KMT2ATAS2R14HDAC1
SCHEMBL2194821 0.79 HCAR3 (0.58) PTGESALOX5TRPV1KMT2ATAS2R14
SCHEMBL20684185 0.78 CNR1 (0.45) TRPV1KMT2AHDAC1HDAC3HDAC2
SCHEMBL2393020 0.77 DAO (0.42) TRPV1HDAC1HDAC3HDAC2PDK1
SCHEMBL21466923 0.77 PTGES (0.44) PTGESALOX5KMT2ATAS2R14HDAC1

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-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

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 38/4885TRPV1 275/4885

“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.