SCHEMBL14768689

SCHEMBL14768689

CCOC(=O)/C=C1\CCc2ccc(CO)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
ESR2 Q92731 1/20 0.41
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NAMPT P43490 2/20 0.35
HTT P42858 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35

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
SCHEMBL16510284 0.82 MTNR1A (0.43) ESR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7073014 0.82 MTNR1A (0.43) ESR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14761632 0.82 MTNR1A (0.43) ESR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17200595 0.78 ESR2 (0.42) ESR2HPGDMAPK1HSD17B10HTT
SCHEMBL14137057 0.78 ESR2 (0.42) ESR2HPGDMAPK1HSD17B10HTT
SCHEMBL13221540 0.77 DRD2 (0.43) ESR2BRD4
SCHEMBL7076510 0.77 DRD2 (0.43) ESR2BRD4
SCHEMBL7131312 0.77 DRD2 (0.43) ESR2BRD4
SCHEMBL7075532 0.75 MAPT (0.43) ESR2HTTCYP1A2CYP3A4CYP2C9
SCHEMBL7075529 0.75 MAPT (0.43) ESR2HTTCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2013-03-14 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-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF HTR5A, HTR3B, HTR1A CYP4F2 557/4885CYP4A11 1198/4885ESR2 2488/4885

“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.