SCHEMBL16865350

SCHEMBL16865350

CCCCc1ccc(/C=C/[C@H](O)CC(=O)OCC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.50
CYP4Z1 Q86W10 3/20 0.46
SPHK2 Q9NRA0 1/20 0.46
CYP4F11 Q9HBI6 1/20 0.46
CYP4F12 Q9HCS2 1/20 0.46
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL16865355 1.00 SPHK1 (0.50) SPHK1CYP4Z1SPHK2CYP4F11CYP4F12
SCHEMBL16865352 0.83 CYP2C9 (0.45) CYP4F2CYP4A11ALDH1A1HPGDKDM4E
SCHEMBL16865348 0.83 CYP2C9 (0.45) CYP4F2CYP4A11ALDH1A1HPGDKDM4E
SCHEMBL16865329 0.81 NOS3 (0.45) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL16865353 0.81 NOS3 (0.45) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL16859612 0.81 NOS3 (0.45) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL16865346 0.80 MEN1 (0.49) CYP4F2CYP4A11ALDH1A1HPGDKDM4E
SCHEMBL16865347 0.80 MEN1 (0.49) CYP4F2CYP4A11ALDH1A1HPGDKDM4E
SCHEMBL6286441 0.77 CYP4F2 (0.72) CYP4Z1CYP4F11CYP4F12CYP4F2CYP4A11
SCHEMBL9997959 0.75 SPHK1 (0.51) SPHK1SPHK2ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133488-B2 Synthetic methods and compounds related thereto UNIVERSITY OF ALASKA FAIRBANKS (US) 2015-09-15 US disclosed
US-9133488-B2 Synthetic methods and compounds related thereto UNIVERSITY OF ALASKA FAIRBANKS (US) 2015-09-15 US disclosed
US-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO UNIVERSITY OF ALASKA FAIRBANKS 2015-07-02 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-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO LSS, CYP51A1, FASN SPHK1 429/4885CYP4Z1 245/4885SPHK2 653/4885

“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.