SCHEMBL414072

SCHEMBL414072

CC(CCCCCCCC=CCCCCCCCC(C)C(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.52
BLM P54132 3/20 0.50
LTA4H P09960 1/20 0.50
GABRR1 P24046 2/20 0.46
CYP1A2 P05177 2/20 0.46
TERT O14746 3/20 0.44
PTPN1 P18031 3/20 0.44
PPARG P37231 3/20 0.44
PPARD Q03181 3/20 0.44
PPARA Q07869 3/20 0.44
MAPT P10636 2/20 0.44
HSD17B10 Q99714 2/20 0.44
FABP4 P15090 2/20 0.44
F7 P08709 2/20 0.44
F3 P13726 2/20 0.44
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL4308676 0.92 F7 (0.51) ACE2BLMLTA4HCYP1A2TERT
SCHEMBL18955451 0.92 ACE2 (0.65) ACE2BLMCYP1A2TERTPTPN1
SCHEMBL1647193 0.92 ACE2 (0.65) ACE2BLMCYP1A2TERTPTPN1
SCHEMBL15463523 0.92 F7 (0.51) ACE2BLMLTA4HCYP1A2TERT
SCHEMBL16011377 0.92 ACE2 (0.55) ACE2BLMCYP1A2TERTPTPN1
SCHEMBL6432220 0.92 ACE2 (0.65) ACE2BLMCYP1A2TERTPTPN1
SCHEMBL8984459 0.92 ACE2 (0.46) ACE2BLMLTA4HGABRR1CYP1A2
SCHEMBL4308674 0.92 F7 (0.51) ACE2BLMLTA4HCYP1A2TERT
SCHEMBL22772992 0.92 ACE2 (0.65) ACE2BLMCYP1A2TERTPTPN1
SCHEMBL1647192 0.92 ACE2 (0.65) ACE2BLMCYP1A2TERTPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455698-B2 Hydroxy- and aldehyde functional compounds EVONIK DEGUSSA GMBH (DE) 2013-06-04 US disclosed
US-8394996-B2 Method for producing aldehyde functional compounds EVONIK DEGUSSA GMBH (DE) 2013-03-12 US disclosed
US-20120022276-A1 METHOD FOR PRODUCING ALDEHYDE FUNCTIONAL COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2012-01-26 US disclosed
US-20110198535-A1 HYDROXY- AND ALDEHYDE FUNCTIONAL COMPOUNDS EVONIC DEGUSSA GMBH (DE) 2011-08-18 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 (1 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-20120022276-A1 METHOD FOR PRODUCING ALDEHYDE FUNCTIONAL COMPOUNDS FASN, ALDH2, ALOX12 ACE2 862/4885BLM 4434/4885LTA4H 158/4885

“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.