SCHEMBL578734

SCHEMBL578734

CN(C)C(=O)c1ccc(OCCO)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.61
▸ HPGD P15428 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ GAA P10253 2/20 0.57
▸ NR1I2 O75469 1/20 0.56
▸ TBXAS1 P24557 1/20 0.56
▸ MAOB P27338 1/20 0.52
▸ AOC3 Q16853 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ DRD2 P14416 1/20 0.50
▸ GPR119 Q8TDV5 5/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RECQL P46063 1/20 0.47
▸ MCHR1 Q99705 1/20 0.46

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
SCHEMBL10932269 0.86 ALDH1A1 (0.61) ALDH1A1HPGDSMN1; SMN2TBXAS1L3MBTL1
SCHEMBL10460818 0.84 ALDH1A1 (0.59) ALDH1A1HPGDSMN1; SMN2GAATBXAS1
SCHEMBL10754241 0.84 ALDH1A1 (0.59) ALDH1A1HPGDSMN1; SMN2GAATBXAS1
Hydrochloric Acid SCHEMBL12503056 0.83 ALDH1A1 (0.58) ALDH1A1HPGDSMN1; SMN2GAATBXAS1
SCHEMBL7637707 0.83 TP53 (0.66) ALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL9388919 0.81 ALDH1A1 (0.66) ALDH1A1HPGDSMN1; SMN2MAOBAOC3
SCHEMBL24627424 0.81 ALDH1A1 (0.56) ALDH1A1HPGDSMN1; SMN2TBXAS1MAOB
SCHEMBL15788223 0.81 ALDH1A1 (0.56) ALDH1A1HPGDSMN1; SMN2GAATBXAS1
SCHEMBL26681150 0.81 ALDH1A1 (0.59) ALDH1A1HPGDSMN1; SMN2MAOBAOC3
SCHEMBL11197459 0.80 ALDH1A1 (0.63) ALDH1A1HPGDSMN1; SMN2GAATBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418203-B1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO CO LTD (JP) 2013-12-11 — — EP disclosed
US-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 — — US disclosed
US-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 — — US disclosed
US-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 — — US disclosed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 — — US disclosed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 — — US disclosed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 — — US disclosed
EP-2418203-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP Daiichi Sankyo Company, Limited (JP) 2012-02-15 — — EP disclosed
EP-2418203-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP Daiichi Sankyo Company, Limited (JP) 2012-02-15 — — EP disclosed
WO-2010116915-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP 第一三共株式会社 (JP) 2010-10-14 — — 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-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP BMP2, BMP4, BMP6 ALDH1A1 2092/4885HPGD 3481/4885SMN1; SMN2 504/4885

“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.

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