SCHEMBL3957435

SCHEMBL3957435

CCCCCCCC/C=C\CCCCCCC(C(=O)O)c1cc(=O)oc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.45
CES1 P23141 2/20 0.45
NQO1 P15559 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SOAT2 O75908 1/20 0.43
SOAT1 P35610 1/20 0.43
EPHX2 P34913 1/20 0.41

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
SCHEMBL3948789 0.86 EPHX2 (0.38) FAAHCES1SOAT2SOAT1EPHX2
SCHEMBL5351493 0.78 FAAH (0.45) FAAHSOAT2SOAT1EPHX2
SCHEMBL3952916 0.78 ALDH1A1 (0.44) CYP1A2CYP3A4CYP2C9
SCHEMBL29215813 0.78 FAAH (0.43) FAAHSOAT2SOAT1EPHX2
SCHEMBL669128 0.78 NQO1 (0.43) NQO1
SCHEMBL8665344 0.77 F7 (0.53) FAAHSOAT2SOAT1EPHX2
SCHEMBL8665350 0.77 F7 (0.53) FAAHSOAT2SOAT1EPHX2
SCHEMBL2025362 0.76 EPHX2 (0.47) FAAHCYP3A4EPHX2
SCHEMBL3958792 0.76 NDUFS8 (0.45) FAAHCES1EPHX2
SCHEMBL30850816 0.76 SOAT2 (0.51) FAAHCYP1A2CYP3A4CYP2C9CYP2C19

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 FAAH 190/4885CES1 197/4885NQO1 323/4885

“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.