SCHEMBL3993142

SCHEMBL3993142

CCOC(=O)C(=O)CC(=O)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
CHRM1 P11229 3/20 0.40
POLB P06746 3/20 0.39
THRB P10828 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
NAAA Q02083 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL1739339 0.98 ALDH1A1 (0.46) ALDH1A1GAAMAPTSMN1; SMN2CHRM1
SCHEMBL24512542 0.98 ALDH1A1 (0.46) ALDH1A1GAAMAPTSMN1; SMN2CHRM1
SCHEMBL3388901 0.96 GAA (0.41) ALDH1A1GAAMAPTSMN1; SMN2CHRM1
SCHEMBL1694342 0.92 GAA (0.44) ALDH1A1GAAMAPTSMN1; SMN2POLB
SCHEMBL27130827 0.84 GAA (0.42) ALDH1A1GAAMAPTSMN1; SMN2POLB
SCHEMBL15566866 0.84 ALDH1A1 (0.40) ALDH1A1GAAMAPTSMN1; SMN2CHRM1
SCHEMBL27006521 0.84 GAA (0.42) ALDH1A1GAAMAPTSMN1; SMN2POLB
SCHEMBL16698412 0.83 NAAA (0.41) ALDH1A1ATMHPGDNAAA
SCHEMBL15535983 0.82 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2HSD17B10HPGDNAAA
SCHEMBL15566435 0.82 GAA (0.37) ALDH1A1GAAMAPTSMN1; SMN2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3473098-A1 COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF Gorbunov, Sergei Valeryevich (RU) 2019-04-24 EP disclosed
US-20160083400-A1 TRICYCLIC GUANIDINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 US disclosed
US-20160083400-A1 TRICYCLIC GUANIDINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 US disclosed
US-20160083400-A1 TRICYCLIC GUANIDINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 US disclosed
US-20150133669-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID ACTELION PHARMACEUTICALS LTD. (CH) 2015-05-14 US disclosed
US-20150133669-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID ACTELION PHARMACEUTICALS LTD. (CH) 2015-05-14 US disclosed
US-20150133669-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID ACTELION PHARMACEUTICALS LTD. (CH) 2015-05-14 US disclosed
EP-2852575-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID Actelion Pharmaceuticals Ltd. (CH) 2015-04-01 EP disclosed
WO-2013175397-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID ACTELION PHARMACEUTICALS LTD (CH) 2013-11-28 WO disclosed
WO-2009071707-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-06-11 WO disclosed
WO-2009071707-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-06-11 WO disclosed
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-10-02 US disclosed
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-10-02 US disclosed
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-10-02 US disclosed
WO-2008071650-A2 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-19 WO disclosed
WO-2008071650-A2 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-19 WO disclosed
WO-2004096811-A1 PDE9 INHIBITORS FOR TREATING TYPE 2 DIABETES, METABOKIC SYNDROME, AND CARDIOVASCULAR DISEASE PFIZER PRODUCTS INC. (US) 2004-11-11 WO disclosed
US-20040220186-A1 PDE9 inhibitors for treating type 2 diabetes,metabolic syndrome, and cardiovascular disease PFIZER INC. 2004-11-04 US 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 (4 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-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases PDE4A, PDE7B, PDE4B ALDH1A1 130/4885GAA 400/4885MAPT 3196/4885
US-20150133669-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID IMPDH1, IMPDH2, ITPA ALDH1A1 631/4885GAA 2505/4885MAPT 2071/4885
US-20160083400-A1 TRICYCLIC GUANIDINE DERIVATIVE PDE3A, PDE2A, PDE5A ALDH1A1 475/4885GAA 76/4885MAPT 3834/4885
US-20040220186-A1 PDE9 inhibitors for treating type 2 diabetes,metabolic syndrome, and cardiovascular disease PDE9A, PDE2A, PDE12 ALDH1A1 474/4885GAA 572/4885MAPT 4116/4885

“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.