SCHEMBL6013329

SCHEMBL6013329

CCCCCn1c(C)c(C)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.58
CNR2 P34972 17/20 0.57
CNR1 P21554 7/20 0.56
SLC6A3 Q01959 1/20 0.56
PGR P06401 1/20 0.53
RORA P35398 1/20 0.53
RORC P51449 1/20 0.53
RORB Q92753 1/20 0.53

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
SCHEMBL10053035 0.87 KDM4E (0.65) KDM4EALDH1A1CNR2CNR1PGR
Iodide SCHEMBL31343169 0.86 KDM4E (0.63) KDM4EALDH1A1CNR2CNR1PGR
SCHEMBL278343 0.83 PGR (0.66) CNR2PGRRORARORCRORB
SCHEMBL29673705 0.82 CNR2 (0.53) CNR2CNR1SLC6A3
SCHEMBL28763406 0.82 KDM4E (0.63) KDM4EALDH1A1CNR2CNR1SLC6A3
SCHEMBL6575875 0.82 PGR (0.64) CNR2PGRRORARORCRORB
SCHEMBL1000878 0.82 PGR (0.64) CNR2PGRRORARORCRORB
SCHEMBL750975 0.82 PGR (0.64) CNR2PGRRORARORCRORB
SCHEMBL6275417 0.82 PGR (0.64) CNR2PGRRORARORCRORB
SCHEMBL6278388 0.82 PGR (0.64) CNR2PGRRORARORCRORB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115782-B2 Process for producing aromatic compounds by Friedel-Crafts reaction SHOWA DENKO K.K. (JP) 2006-10-03 US disclosed
US-20050222457-A1 Process for producing aromatic compounds by friedel-crafts reaction SHOWA DENKO K.K. (JP) 2005-10-06 US disclosed
EP-1511707-A1 PROCESS FOR PRODUCING AROMATIC COMPOUNDS BY FRIEDEL-CRAFTS REACTION Showa Denko K.K. (JP) 2005-03-09 EP disclosed
WO-2003101925-A1 PROCESS FOR PRODUCING AROMATIC COMPOUNDS BY FRIEDEL-CRAFTS REACTION SHOWA DENKO K. K. (JP) 2003-12-11 WO 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-20050222457-A1 Process for producing aromatic compounds by friedel-crafts reaction PAH, DDC, TYR KDM4E 330/4885ALDH1A1 769/4885CNR2 4229/4885

“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.