SCHEMBL3958792

SCHEMBL3958792

CCCCCCCC/C=C\CCCCCCC(C(=O)O)c1ccc2ccc(=O)oc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NDUFS8 O00217 3/20 0.45
COXFA4 O00483 3/20 0.45
NDUFAB1 O14561 3/20 0.45
NDUFA1 O15239 3/20 0.45
NDUFS4 O43181 3/20 0.45
NDUFB5 O43674 3/20 0.45
NDUFB3 O43676 3/20 0.45
NDUFC1 O43677 3/20 0.45
NDUFA2 O43678 3/20 0.45
NDUFS5 O43920 3/20 0.45
NDUFS7 O75251 3/20 0.45
NDUFS2 O75306 3/20 0.45
NDUFS6 O75380 3/20 0.45
NDUFB1 O75438 3/20 0.45
NDUFS3 O75489 3/20 0.45
NDUFB6 O95139 3/20 0.45
NDUFA3 O95167 3/20 0.45
NDUFB4 O95168 3/20 0.45
NDUFB8 O95169 3/20 0.45
NDUFB2 O95178 3/20 0.45

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
SCHEMBL3952916 0.84 ALDH1A1 (0.44) CA12CA1CA9KDM4EALDH1A1
SCHEMBL4247248 0.76 ALDH1A1 (0.48) CA12CA1CA9KDM4EALDH1A1
SCHEMBL3957435 0.76 FAAH (0.45) FAAHCES1EPHX2
SCHEMBL11293803 0.76 CA9 (0.50) NDUFS8COXFA4NDUFAB1NDUFA1NDUFS4
SCHEMBL30850816 0.76 SOAT2 (0.51) FAAHEPHX2KDM4EALDH1A1
SCHEMBL9603180 0.76 SOAT2 (0.51) FAAHEPHX2KDM4EALDH1A1
SCHEMBL9603178 0.76 SOAT2 (0.51) FAAHEPHX2KDM4EALDH1A1
SCHEMBL3477361 0.75 SOAT2 (0.50) FAAHEPHX2KDM4EALDH1A1
SCHEMBL7093727 0.75 SOAT2 (0.50) FAAHEPHX2KDM4EALDH1A1
SCHEMBL28474036 0.75 SOAT2 (0.50) FAAHEPHX2KDM4EALDH1A1

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
EP-1924671-A4 FLUORESCENT MARKER COMPRISING DOUBLE BOND ESTER GROUP AND METHOD FOR MARKING AND DETECTING THE SAME SIM HYUN-HO (KR) 2009-07-15 EP disclosed
US-20090104711-A1 FLUORESCENT MARKER COMPRISING DOUBLE BOND ESTER GROUP AND METHOD FOR MARKING AND DETECTING THE SAME SIM HYUN-HO 2009-04-23 US disclosed
EP-1924671-A1 FLUORESCENT MARKER COMPRISING DOUBLE BOND ESTER GROUP AND METHOD FOR MARKING AND DETECTING THE SAME Sim, Hyun-Ho (KR) 2008-05-28 EP disclosed
WO-2007037586-A1 FLUORESCENT MARKER COMPRISING DOUBLE BOND ESTER GROUP AND METHOD FOR MARKING AND DETECTING THE SAME SIM HYUN-HO (KR) 2007-04-05 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 (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-20090104711-A1 FLUORESCENT MARKER COMPRISING DOUBLE BOND ESTER GROUP AND METHOD FOR MARKING AND DETECTING THE SAME ELOVL1, FASN, ELOVL5 NDUFS8 224/4885COXFA4 59/4885NDUFAB1 71/4885

“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.