Propionaldehyde

Propionaldehyde

SCHEMBL1136027

CCC=O.CCOC(=O)Cc1ccc(OC)cc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ KLK7 P49862 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ ATM Q13315 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ TRPV1 Q8NER1 1/20 0.51
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ CYP4Z1 Q86W10 1/20 0.50
▸ GLA P06280 1/20 0.49
▸ TBXAS1 P24557 1/20 0.48

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
SCHEMBL924496 0.92 KMT2A (0.63) KMT2AMEN1ALDH1A1GAAKLK7
SCHEMBL9347360 0.87 KMT2A (0.59) KMT2AMEN1ALDH1A1GAAKLK7
SCHEMBL6667000 0.81 TBXAS1 (0.51) KMT2AMEN1ALDH1A1GAACYP4Z1
SCHEMBL68851 0.81 CYP4Z1 (0.62) KMT2AMEN1ALDH1A1GAAL3MBTL1
SCHEMBL3263213 0.80 TRPV1 (0.56) KMT2AMEN1ALDH1A1GAAKLK7
SCHEMBL3263209 0.80 TRPV1 (0.56) KMT2AMEN1ALDH1A1GAAKLK7
SCHEMBL606715 0.79 HTT (0.56) KMT2AMEN1ALDH1A1GAAKLK7
SCHEMBL28578397 0.79 ALDH1A1 (0.68) KMT2AMEN1ALDH1A1GAAKLK7
SCHEMBL21177743 0.78 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1GAAKLK7
SCHEMBL181473 0.78 HPGD (0.61) ALDH1A1GAACYP4Z1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304461-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-10-20 — — US disclosed
US-9403773-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-02 — — US disclosed
US-20150218101-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-08-06 — — US disclosed
US-9045464-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-06-02 — — US disclosed
US-20140121207-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-05-01 — — US disclosed
US-8642619-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-02-04 — — US disclosed
US-20120316168-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-12-13 — — US disclosed
US-8269011-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-18 — — US disclosed
EP-2152699-B1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMA CO LTD (JP) 2011-02-23 — — EP disclosed
US-20100130546-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 — — US disclosed
EP-2152699-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION Otsuka Pharmaceutical Co., Ltd. (JP) 2010-02-17 — — EP disclosed
WO-2008150029-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-12-11 — — 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 (5 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-20120316168-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 KMT2A 1903/4885MEN1 4059/4885ALDH1A1 692/4885
US-20140121207-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 KMT2A 1903/4885MEN1 4059/4885ALDH1A1 692/4885
US-20160304461-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 KMT2A 1903/4885MEN1 4059/4885ALDH1A1 692/4885
US-20100130546-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 KMT2A 1903/4885MEN1 4059/4885ALDH1A1 692/4885
US-20150218101-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 KMT2A 1903/4885MEN1 4059/4885ALDH1A1 692/4885

“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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