SCHEMBL3667900

SCHEMBL3667900

O=CNCC(C(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.53
CYP2D6 P10635 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ADH7 P40394 1/20 0.42
APAF1 O14727 1/20 0.42
SRC P12931 2/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
EPHX1 P07099 1/20 0.41
KMT2A Q03164 1/20 0.40
BCAT2 O15382 1/20 0.40

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
SCHEMBL15904230 0.86 SRC (0.43) CYP2C19SMN1; SMN2KDM4EL3MBTL1SRC
SCHEMBL7616171 0.86 EPHX1 (0.54) CYP2C19CYP2D6SMN1; SMN2KDM4EL3MBTL1
SCHEMBL3663083 0.83 KMT2A (0.56) CYP2C19CYP2D6SMN1; SMN2ALDH1A1LMNA
SCHEMBL6877634 0.82 CYP2C19 (0.50) CYP2C19CYP2D6SMN1; SMN2ADH1BADH1C
SCHEMBL9597502 0.80 MMP8 (0.50) CYP2D6SMN1; SMN2L3MBTL1LMNAKMT2A
SCHEMBL20777488 0.79 CHRM1 (0.48) SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL5182347 0.79 MTNR1A (0.48) L3MBTL1
SCHEMBL1549013 0.78 GRIN1 (0.50) CYP2D6KDM4EL3MBTL1ADH1BADH1C
SCHEMBL11529398 0.77 AOC3 (0.57) CYP2C19CYP2D6SMN1; SMN2APAF1SRC
SCHEMBL2673557 0.77 KDM4E (0.67) CYP2C19CYP2D6SMN1; SMN2KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US claimed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US claimed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP claimed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 WO claimed
WO-1993019067-A1 IMIDAZOPYRIDINE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-30 WO claimed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
EP-2948450-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2015-12-02 EP disclosed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 WO disclosed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US disclosed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP disclosed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 WO disclosed
WO-1993019067-A1 IMIDAZOPYRIDINE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-30 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 (2 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CYP2C19 691/4885CYP2D6 543/4885SMN1; SMN2 1142/4885
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES ARNT, AHR, CYP27A1 CYP2C19 774/4885CYP2D6 635/4885SMN1; SMN2 3310/4885

“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.