SCHEMBL12420657

SCHEMBL12420657

CCCCCCCOc1ccc(C(=O)C2CCNCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
PLA2G4B P0C869 5/20 0.56
MEN1 O00255 1/20 0.54
CYP2D6 P10635 1/20 0.54
KMT2A Q03164 1/20 0.54
RARB P10826 3/20 0.53
PLA2G4A P47712 1/20 0.51
HRH2 P25021 1/20 0.51
HRH1 P35367 1/20 0.51
PLA2G2A P14555 1/20 0.50

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
SCHEMBL8117489 0.85 KMT2A (0.60) TSHRMEN1CYP2D6KMT2AHRH2
SCHEMBL9431699 0.83 TP53 (0.55) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL9942262 0.82 TP53 (0.55) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL12736505 0.81 TSHR (0.54) TSHRMEN1CYP2D6KMT2A
SCHEMBL20021242 0.81 HPGD (0.63) TP53TSHRHRH2HRH1
SCHEMBL30949365 0.80 HRH3 (0.59) HRH2HRH1
SCHEMBL15382224 0.79 RARB (0.57) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL12420679 0.78 NFE2L2 (0.52) MEN1CYP2D6KMT2AHRH2HRH1
SCHEMBL11701844 0.77 HRH2 (0.58) MEN1CYP2D6KMT2AHRH2HRH1
SCHEMBL230405 0.77 NPC1 (0.71) TSHRMEN1CYP2D6KMT2A

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 TP53 4609/4885TSHR 4221/4885PLA2G4B 731/4885

“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.