SCHEMBL16407984

SCHEMBL16407984

O=Cc1ccc(CCCCO)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.52
CYP4A11 Q02928 2/20 0.49
CYP4F2 P78329 1/20 0.49
CDK1 P06493 1/20 0.43
ALDH5A1 P51649 1/20 0.43
ABAT P80404 1/20 0.43
BCHE P06276 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2A6 P11509 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PPARA Q07869 1/20 0.38
LTA4H P09960 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL9672456 0.98 CA2 (0.53) CA2CYP4A11CYP4F2CDK1ALDH5A1
SCHEMBL2457708 0.94 CA2 (0.50) CA2CYP4A11CYP4F2CDK1ALDH5A1
1,4-Butanediol SCHEMBL29131473 0.87 ALDH5A1 (0.55) ALDH5A1ABATALDH1A1LMNAMAPT
SCHEMBL77237 0.85 CA2 (0.52) CA2CYP4A11CYP4F2ALDH5A1ABAT
SCHEMBL15452989 0.84 ALDH1A1 (0.47) CDK1ALDH5A1ABATALDH1A1LMNA
SCHEMBL18643996 0.82 HCAR2 (0.46) CA2CYP4A11CYP4F2CDK1BCHE
SCHEMBL242504 0.82 CA2 (0.61) CA2CYP4A11CYP4F2BCHEALDH1A1
SCHEMBL17278365 0.81 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2CYP2A6
SCHEMBL23837668 0.79 CA2 (0.63) CA2CYP4A11CYP4F2BCHEALDH1A1
SCHEMBL4195590 0.79 CA2 (0.63) CA2CYP4A11CYP4F2BCHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12286426-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof Université de Montréal (CA) 2025-04-29 US disclosed
EP-3704111-B1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF UNIV MONTREAL (CA) 2024-10-09 EP disclosed
CN-111886234-B Heterocyclic mitochondrial activity inhibitors and uses thereof 蒙特利尔大学 2023-12-15 CN disclosed
US-20230357221-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF UNIV MONTREAL (CA) 2023-11-09 US disclosed
US-20230357221-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF UNIV MONTREAL (CA) 2023-11-09 US disclosed
US-20230357221-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF UNIV MONTREAL (CA) 2023-11-09 US disclosed
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof Université de Montréal (CA) 2023-09-19 US disclosed
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof Université de Montréal (CA) 2023-09-19 US disclosed
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof Université de Montréal (CA) 2023-09-19 US disclosed
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF Université de Montréal (CA) 2021-12-16 US disclosed
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF Université de Montréal (CA) 2021-12-16 US disclosed
CN-111886234-A Heterocyclic mitochondrial activity inhibitors and uses thereof 蒙特利尔大学 2020-11-03 CN disclosed
EP-3704111-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF Université de Montréal (CA) 2020-09-09 EP disclosed
US-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER DIC CORPORATION (JP) 2018-01-25 US disclosed
US-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER DIC CORPORATION (JP) 2018-01-25 US disclosed
US-9278989-B2 Sugar-derived gelator KYUSHU UNIVERSITY (JP) 2016-03-08 US disclosed
US-20150025157-A1 NOVEL SUGAR-DERIVED GELATOR INSTITUTE OF SYSTEMS, INFORMATION TECHNOLOGIES AND NANOTECHNOLOGIES (JP) 2015-01-22 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 (6 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-20230357221-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, IDH1 CA2 425/4885CYP4A11 2221/4885CYP4F2 1015/4885
US-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER SMC4, MAP1LC3C, ZW10 CA2 4332/4885CYP4A11 1945/4885CYP4F2 3191/4885
US-20150025157-A1 NOVEL SUGAR-DERIVED GELATOR UGGT1, GCK, B3GAT3 CA2 3835/4885CYP4A11 1938/4885CYP4F2 2380/4885
US-12286426-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, IDH1 CA2 425/4885CYP4A11 2221/4885CYP4F2 1015/4885
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, NUTF2 CA2 473/4885CYP4A11 2205/4885CYP4F2 807/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 CA2 473/4885CYP4A11 2205/4885CYP4F2 807/4885

“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.