SCHEMBL5424914

SCHEMBL5424914

O=C(CCCO)OC1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.66
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 2/20 0.46
CYP19A1 P11511 2/20 0.44
EPHX1 P07099 3/20 0.43
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
EPHX2 P34913 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL11921056 0.98 NAAA (0.65) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL9789759 0.92 NAAA (0.72) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL21218121 0.92 NAAA (0.68) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL7867444 0.90 NAAA (0.71) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL207867 0.90 NAAA (0.79) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL4570309 0.90 NAAA (0.72) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL17675641 0.90 NAAA (0.79) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL6978616 0.90 NAAA (0.53) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL19150279 0.90 NAAA (0.72) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL31069919 0.88 NAAA (0.82) NAAACYP2C19SMN1; SMN2HTTCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7230144-B2 Methods of making intermediates from polyhydroxyalkanoates METABOLIX INC. (US) 2007-06-12 US disclosed
US-7166743-B2 Methods of making intermediates from polyhydroxyalkanoates METABOLIX, INC. (US) 2007-01-23 US disclosed
US-7001969-B2 Methods of making intermediates from polyhydroxyalkanoates METABOLIX INC. (US) 2006-02-21 US disclosed
US-6933404-B2 Methods of making intermediates from polyhydroxyalkanoates METABOLIX INC. (US) 2005-08-23 US disclosed
US-20050182235-A1 Methods of making intermediates from polyhydroxyalkanoates METABOLIX INC., A DELAWARE CORPORATION 2005-08-18 US disclosed
US-6897338-B2 Methods of making intermediates from polyhydroxyalkanoates METABOLIX, INC. (US) 2005-05-24 US disclosed
US-20050101760-A1 Methods of making intermediates from polyhydroxyalkanoates METABOLIX INC. (US) 2005-05-12 US disclosed
US-6844447-B2 Methods of making intermediates from polyhydroxyalkanoates METABOLIX INC. (US) 2005-01-18 US disclosed
US-20030162851-A1 Methods of making intermediates from polyhydroxyalkanoates CJ CHEILJEDANG CORPORATION (KR) 2003-08-28 US disclosed
US-20030158274-A1 Methods of making intermediates from polyhydroxyalkanoates CJ CHEILJEDANG CORPORATION (KR) 2003-08-21 US disclosed
US-20030158441-A1 Methods of making intermediates from polyhydroxyalkanoates CJ CHEILJEDANG CORPORATION (KR) 2003-08-21 US disclosed
US-20030144551-A1 Methods of making intermediates from polyhydroxyalkanoates CJ CHEILJEDANG CORPORATION (KR) 2003-07-31 US disclosed
WO-2003051813-A1 METHODS OF MAKING INTERMEDIATES FROM POLYHYDROXYALKANOATES METABOLIX, INC. (US) 2003-06-26 WO disclosed
EP-0985671-B1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
US-6197768-B1 THERAPY, PREVENTION ISCHEMIC HEART DISEASE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed
EP-0992240-A1 THERAPEUTIC AGENT FOR ERECTION FAILURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP disclosed
EP-0985671-A1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
US-6018046-A SELECTIVE ACTION IN INHIBITING CYCLIC GMP-PHOSPHODIESTERASE (CGMP-PDE); PHARMACEUTICALS FOR TREATING DISEASES AGAINST WHICH THE INHIBITORY ACTION IS EFFECTIVE, SUCH AS PULMONARY HYPERTENSION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 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 (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-20030158441-A1 Methods of making intermediates from polyhydroxyalkanoates HMBS, COASY, PGLS NAAA 162/4885CYP2C19 845/4885SMN1; SMN2 4878/4885
US-20030144551-A1 Methods of making intermediates from polyhydroxyalkanoates HMBS, COASY, PGLS NAAA 162/4885CYP2C19 845/4885SMN1; SMN2 4878/4885

“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.