SCHEMBL5079006

SCHEMBL5079006

CCCn1c(C)c(C)c2cc[c]cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CNR2 P34972 14/20 0.33
CNR1 P21554 6/20 0.33
CYP1A2 P05177 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
NR1I2 O75469 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL3483293 0.87 KDM4E (0.46) KDM4ERAB9AALDH1A1CNR2CNR1
SCHEMBL973713 0.84 HPGD (0.37) KDM4EALDH1A1CNR2HPGDTSHR
SCHEMBL10053035 0.75 KDM4E (0.65) KDM4EALDH1A1CNR2CNR1CYP1A2
SCHEMBL975310 0.74 PGR (0.44) KDM4EALDH1A1CNR2HPGDTSHR
Iodide SCHEMBL31343169 0.74 KDM4E (0.63) KDM4EALDH1A1CNR2CNR1CYP1A2
SCHEMBL973904 0.73 HPGD (0.40) KDM4EALDH1A1CNR2CNR1CYP1A2
SCHEMBL3483098 0.72 KDM4E (0.41) KDM4ERAB9AALDH1A1CYP1A2HPGD
SCHEMBL976299 0.72 ALDH1A1 (0.39) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL3482933 0.72 KDM4E (0.45) KDM4ERAB9AALDH1A1CYP1A2CYP2C19
SCHEMBL3483492 0.72 CNR2 (0.36) KDM4EALDH1A1CNR2CNR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 US disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 US 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-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 KDM4E 1472/4885RAB9A 2601/4885ALDH1A1 996/4885

“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.