SCHEMBL1508524

SCHEMBL1508524

CCOC(=O)CC(OCC)c1ccc(N)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 1/20 0.59
HTT P42858 1/20 0.59
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAOA P21397 1/20 0.47
FFAR1 O14842 13/20 0.45
PPIB P23284 1/20 0.43
PPIA P62937 1/20 0.43
PPID Q08752 1/20 0.43
PPIG Q13427 1/20 0.43
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PPARG P37231 2/20 0.40
MAPT P10636 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
SCHEMBL232825 0.88 ALDH1A1 (0.59) KDM4EALDH1A1HTTLMNACYP1A2
SCHEMBL1508345 0.86 FFAR1 (0.49) KDM4EALDH1A1HTTFFAR1PPARG
SCHEMBL3821109 0.84 FFAR1 (0.51) ALDH1A1FFAR1F2F10
SCHEMBL5700957 0.82 ALDH1A1 (0.64) KDM4EALDH1A1HTTLMNACYP1A2
SCHEMBL5670458 0.81 ALDH1A1 (0.62) KDM4EALDH1A1HTTLMNACYP1A2
SCHEMBL5691331 0.81 ALDH1A1 (0.62) KDM4EALDH1A1HTTLMNACYP1A2
SCHEMBL1508441 0.80 MAPT (0.63) KDM4EALDH1A1LMNAFFAR1MAPT
SCHEMBL7720487 0.79 ALDH1A1 (0.61) KDM4EALDH1A1HTTLMNACYP1A2
SCHEMBL5691956 0.78 ALDH1A1 (0.59) KDM4EALDH1A1HTTLMNACYP1A2
SCHEMBL5691957 0.78 ALDH1A1 (0.59) KDM4EALDH1A1HTTLMNACYP1A2

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-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 KDM4E 4326/4885ALDH1A1 195/4885HTT 3484/4885

“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.