SCHEMBL4861360

SCHEMBL4861360

CCCCc1ccc(-c2ccccc2)c(C=O)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.53
CDK1 P06493 1/20 0.44
HSD11B1 P28845 2/20 0.43
GPR3 P46089 1/20 0.41
RARB P10826 3/20 0.40
LTB4R Q15722 2/20 0.39
LTB4R2 Q9NPC1 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BRS3 P32247 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
SKP2 Q13309 1/20 0.38
DHODH Q02127 1/20 0.38

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
SCHEMBL4860540 0.91 PSMB5 (0.43) PSMB5CDK1LTB4RLTB4R2
SCHEMBL9652705 0.88 PSMB5 (0.60) PSMB5CDK1HSD11B1GPR3RARB
SCHEMBL4860000 0.84 NPC1 (0.47) LTB4RLTB4R2ALDH1A1
SCHEMBL9652691 0.81 HSD11B1 (0.45) PSMB5HSD11B1RARBLTB4R2ALDH1A1
SCHEMBL11325207 0.80 PSMB5 (0.61) PSMB5HSD11B1GPR3RARBALDH1A1
SCHEMBL13454809 0.79 XDH (0.48) RARBLTB4R2
SCHEMBL7091136 0.79 CDK1 (0.60) CDK1RARBTRPV1
SCHEMBL4861353 0.78 PSMB5 (0.49) PSMB5CDK1GPR3ALDH1A1HPGD
SCHEMBL7947727 0.78 LTB4R (0.58) GPR3RARBLTB4RLTB4R2ALDH1A1
SCHEMBL28679637 0.77 PSMB5 (0.51) PSMB5HSD11B1GPR3RARBTRPV1

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-7405331-B2 High-purity (fluoroalkyl)benzene derivative and process for producing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-07-29 US disclosed
US-20060167324-A1 High-purity (fluoroalkyl)benzene derivative and process for producing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-07-27 US disclosed
EP-1500641-A1 HIGH-PURITY (FLUOROALKYL)BENZENE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-01-26 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-20060167324-A1 High-purity (fluoroalkyl)benzene derivative and process for producing the same HBB, AFF4, AFF2 PSMB5 373/4885CDK1 4855/4885HSD11B1 1079/4885

“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.