SCHEMBL2197741

SCHEMBL2197741

O=C(O)c1cccc(CCCC2CCCCC2)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPM1D O15297 3/20 0.53
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 1/20 0.50
KMO O15229 1/20 0.50
GRM2 Q14416 1/20 0.50
GRM3 Q14832 1/20 0.50
TBXA2R P21731 1/20 0.48
CCR5 P51681 1/20 0.48
FOLH1 Q04609 1/20 0.47
EPHX1 P07099 1/20 0.47
SLC18A3 Q16572 1/20 0.45
KDM4C Q9H3R0 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
BMP1 P13497 1/20 0.44
MCL1 Q07820 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL19301513 0.87 FOLH1 (0.46) PPM1DCYP2D6CYP2C9HIF1AGRM2
SCHEMBL27712207 0.85 MCL1 (0.41) PPM1DKMOSLC18A3KDM4CMCL1
SCHEMBL2197290 0.84 CYP4F2 (0.61) PPM1DCYP2C9FOLH1MRGPRX4
SCHEMBL9005566 0.82 PPM1D (0.64) PPM1DCYP2D6CYP2C9HIF1AKMO
SCHEMBL9005670 0.82 PPM1D (0.64) PPM1DCYP2D6CYP2C9HIF1AKMO
SCHEMBL10080510 0.82 GRIN2D (0.57) PPM1D
SCHEMBL23642786 0.80 CYP4F2 (0.63) PPM1DHIF1AFOLH1MRGPRX4
SCHEMBL16559877 0.79 FOLH1 (0.66) CYP2D6CYP2C9HIF1AFOLH1MRGPRX4
SCHEMBL2197339 0.79 SLC18A3 (0.46) CCR5SLC18A3SIGMAR1
SCHEMBL2440428 0.78 SLC18A3 (0.60) CCR5EPHX1SLC18A3SIGMAR1

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
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 PPM1D 3330/4885CYP2D6 3951/4885CYP2C9 2569/4885

“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.