SCHEMBL3465211

SCHEMBL3465211

Fc1cccc(-c2ccccc2OCC2CCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.45
BRD4 O60885 2/20 0.44
C5AR1 P21730 1/20 0.44
MCHR1 Q99705 2/20 0.43
KCNN4 O15554 1/20 0.43
FEN1 P39748 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
MGLL Q99685 1/20 0.42
CHRM3 P20309 3/20 0.42
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
PTGER1 P34995 1/20 0.41
PDK2 Q15119 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
SCHEMBL12334991 0.82 C5AR1 (0.55) BRD4C5AR1MCHR1KCNN4HTR2C
SCHEMBL29788194 0.76 TP53 (0.53) C5AR1KCNN4HTR2C
SCHEMBL13370771 0.76 TP53 (0.53) C5AR1KCNN4HTR2C
SCHEMBL8222244 0.75 MCHR1 (0.47) BRD4C5AR1MCHR1KCNN4HTR2C
SCHEMBL15473213 0.75 ADRB2 (0.48) FEN1ADRA2AADRA2BADRA2CHTR2A
SCHEMBL29699363 0.75 PTGER1 (0.48) BRD4C5AR1MCHR1KCNN4CHRM3
SCHEMBL18071656 0.75 TP53 (0.45) FEN1ADRA2AADRA2BADRA2C
SCHEMBL12958354 0.74 IDO1 (0.48) MCHR1FEN1ADRA2AADRA2BADRA2C
SCHEMBL27996084 0.74 PARP10 (0.52)
SCHEMBL12968482 0.74 CYP1A2 (0.50) FEN1ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240678-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2010-09-23 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-20100240678-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S KCNH2 2945/4885BRD4 2322/4885C5AR1 312/4885

“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.