SCHEMBL1508243

SCHEMBL1508243

O=C1CCc2c1cccc2C1CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
PDE4D Q08499 1/20 0.40
GRM5 P41594 8/20 0.38
GRM1 Q13255 8/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK4 Q16654 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
MAPK14 Q16539 1/20 0.36
ADRA1A P35348 1/20 0.35
CYP2A6 P11509 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
TYMS P04818 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL14290520 0.89 CYP2A6 (0.44) NOTUMGRM5GRM1PDK2PDK4
SCHEMBL17297935 0.81 ALDH1A1 (0.36) NOTUMPDE4DALDH1A1GAAPDK2
SCHEMBL8778448 0.78 CES1 (0.53) MAPK14MAOAMAOB
SCHEMBL30900911 0.72 MAPT (0.58) ALDH1A1GAAPDK2PDK4KDM4E
SCHEMBL5541367 0.71 ALDH1A1 (0.41) PDE4DALDH1A1GAAKDM4EHPGD
SCHEMBL21200166 0.70 CDK5 (0.56)
SCHEMBL29867145 0.70 CDK5 (0.56)
SCHEMBL163925 0.69 PARP10 (0.56) GRM5GRM1ALDH1A1GAAKDM4E
SCHEMBL2480404 0.69 PARP1 (0.56) ALDH1A1GAAKDM4EHPGDCYP2A6
SCHEMBL7899156 0.69 ALDH1A1 (0.43) PDE4DALDH1A1GAAKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2289868-B1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO CO LTD (JP) 2014-08-13 EP disclosed
US-8222281-B2 Carboxylic acid compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-17 US disclosed
CN-102076650-A Carboxylic acid compound DAIICHI SANKYO CO LTD 2011-05-25 CN disclosed
US-20110053974-A1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
EP-2289868-A1 CARBOXYLIC ACID COMPOUND Daiichi Sankyo Company, Limited (JP) 2011-03-02 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-20110053974-A1 CARBOXYLIC ACID COMPOUND AKR1C3, SLC5A1, GPR119 NOTUM 1195/4885PDE4D 3710/4885GRM5 2672/4885

“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.