SCHEMBL4861353

SCHEMBL4861353

CCCCc1ccc(C=O)c(-c2ccccc2C=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.49
GPR3 P46089 1/20 0.43
CDK1 P06493 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
LPL P06858 3/20 0.41
LIPG Q9Y5X9 3/20 0.41
SKP2 Q13309 1/20 0.40
METAP2 P50579 1/20 0.39
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
HTR5A P47898 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
THRB P10828 2/20 0.38
NPC1 O15118 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
SCHEMBL4860537 0.92 CNR1 (0.44) PSMB5GPR3CDK1LPLLIPG
SCHEMBL9652705 0.88 PSMB5 (0.60) PSMB5GPR3CDK1CA1CA2
SCHEMBL4859993 0.85 ALDH1A1 (0.53) CDK1ALDH1A1LMNATHRBNPC1
SCHEMBL9652691 0.84 HSD11B1 (0.45) PSMB5CA1CA2ALDH1A1THRB
SCHEMBL2179847 0.80 LIPG (0.42) LIPGALDH1A1LMNATHRBSMN1; SMN2
SCHEMBL11345633 0.78 RARB (0.48) GPR3LPLLIPGHTR2AALDH1A1
SCHEMBL4861360 0.78 PSMB5 (0.53) PSMB5GPR3CDK1SKP2ALDH1A1
SCHEMBL16901836 0.78 SKP2 (0.56) PSMB5CDK1CA1CA2SKP2
SCHEMBL8649664 0.78 CDK1 (0.46) PSMB5CDK1CA1CA2SKP2
SCHEMBL1219815 0.77 CDK1 (0.45) PSMB5CDK1CA1CA2SKP2

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 373/4885GPR3 3235/4885CDK1 4855/4885

“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.