SCHEMBL4860000

SCHEMBL4860000

CCc1ccc(-c2ccccc2)c(C=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
LTB4R Q15722 2/20 0.40
LTB4R2 Q9NPC1 2/20 0.40
TP53 P04637 1/20 0.39
FOLH1 Q04609 1/20 0.38
BCL2 P10415 1/20 0.38
CSNK2A1 P68400 2/20 0.38
S1PR3 Q99500 1/20 0.37
PDK2 Q15119 1/20 0.36
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35

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 0.87 PSMB5 (0.43) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL4861360 0.84 PSMB5 (0.53) ALDH1A1LTB4RLTB4R2
SCHEMBL23722665 0.83 MAPT (0.43) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL8734477 0.80 MEN1 (0.42) NPC1RAB9AMAPTALDH1A1L3MBTL1
SCHEMBL30500513 0.78 NPC1 (0.53) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL8459740 0.77 MAPT (0.57) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL9208403 0.77 HPGD (0.50) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL8917792 0.77 LMNA (0.43) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL4851358 0.77 PSMB5 (0.46) NPC1RAB9ALMNAMAPTALDH1A1
SCHEMBL8459678 0.75 TRPA1 (0.41) NPC1RAB9ALMNAMAPTSMN1; SMN2

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 NPC1 1655/4885RAB9A 1046/4885LMNA 2219/4885

“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.