SCHEMBL10189216

SCHEMBL10189216

CC(C)(C)C1(F)C=CC(=O)C=C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BCHE P06276 1/20 0.33
POLB P06746 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
MAOB P27338 1/20 0.33
APEX1 P27695 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
MDM2 Q00987 1/20 0.33
DHODH Q02127 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL10454809 0.70
SCHEMBL7750501 0.69
SCHEMBL10605855 0.67 CYP2C19 (0.44) HSD17B10CYP2C19ALDH1A1BCHEPOLB
SCHEMBL10455903 0.65
SCHEMBL1100011 0.64
SCHEMBL9314750 0.62 ALDH1A1 (0.30) HSD17B10ALDH1A1BCHEPOLBMAOA
SCHEMBL10455724 0.60 CYP2C19 (0.47) CYP2C19
SCHEMBL363382 0.60 CYP2C19 (0.52) HSD17B10CYP2C19ALDH1A1BCHEPOLB
SCHEMBL30775643 0.60
SCHEMBL20079635 0.60

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-20130190529-A1 Fluorine Radiolabelling Process ISIS INNOVATION LIMITED (GB) 2013-07-25 US disclosed
US-20130190529-A1 Fluorine Radiolabelling Process ISIS INNOVATION LIMITED (GB) 2013-07-25 US disclosed
WO-2012004567-A2 FLUORINE RADIOLABELLING PROCESS ISIS INNOVATION LIMITED (GB) 2012-01-12 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-20130190529-A1 Fluorine Radiolabelling Process ESRRG, NR5A2, RXFP4 HSD17B10 956/4885CYP2C19 587/4885ALDH1A1 2811/4885

“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.