SCHEMBL4859993

SCHEMBL4859993

CCc1ccc(C=O)c(-c2ccccc2C=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
LMNA P02545 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
MAPT P10636 4/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.39
HTT P42858 3/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39

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 0.86 CNR1 (0.44) ALDH1A1LMNASMN1; SMN2MAPTNPC1
SCHEMBL4861353 0.85 PSMB5 (0.49) ALDH1A1LMNASMN1; SMN2MAPTNPC1
SCHEMBL10395877 0.83 MAPT (0.47) ALDH1A1LMNASMN1; SMN2MAPTNPC1
SCHEMBL8612809 0.77 MEN1 (0.48) ALDH1A1LMNASMN1; SMN2TDP1MEN1
SCHEMBL8459678 0.77 TRPA1 (0.41) ALDH1A1LMNASMN1; SMN2MAPTNPC1
SCHEMBL249552 0.76 KMT2A (0.71) ALDH1A1LMNASMN1; SMN2TDP1MEN1
SCHEMBL31175932 0.76 KMT2A (0.71) ALDH1A1LMNASMN1; SMN2TDP1MEN1
SCHEMBL4851355 0.76 ELANE (0.48) ALDH1A1LMNASMN1; SMN2MAPTRAB9A
SCHEMBL5085882 0.75 TRPA1 (0.40) ALDH1A1LMNASMN1; SMN2MAPTNPC1
SCHEMBL4860000 0.74 NPC1 (0.47) ALDH1A1LMNASMN1; SMN2MAPTNPC1

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 ALDH1A1 669/4885LMNA 2219/4885SMN1; SMN2 3356/4885

“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.