SCHEMBL21944366

SCHEMBL21944366

CC(Cc1ccc(O)c(CCF)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.50
GABRB2 P47870 1/20 0.50
SLC7A5 Q01650 2/20 0.46
BACE1 P56817 1/20 0.44
KDM6B O15054 1/20 0.44
ALOX15 P16050 4/20 0.43
KDM4E B2RXH2 4/20 0.43
RECQL P46063 4/20 0.43
HIF1A Q16665 3/20 0.43
HSD17B10 Q99714 3/20 0.43
PTGS2 P35354 3/20 0.43
USP2 O75604 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
HTR2A P28223 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
EGFR P00533 2/20 0.43
LCK P06239 2/20 0.43
PTGS1 P23219 2/20 0.43
FYN P06241 1/20 0.43
PPARD Q03181 2/20 0.42

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
SCHEMBL13640498 0.88 GABRA1 (0.50) GABRA1GABRB2SLC7A5BACE1KDM6B
SCHEMBL3664456 0.86 GABRA1 (0.54) GABRA1GABRB2SLC7A5BACE1KDM6B
SCHEMBL14461290 0.84 SLC7A5 (0.66) GABRA1GABRB2SLC7A5ALOX15KDM4E
SCHEMBL20299942 0.84 SLC7A5 (0.66) GABRA1GABRB2SLC7A5ALOX15KDM4E
SCHEMBL29388905 0.84 SLC7A5 (0.66) GABRA1GABRB2SLC7A5ALOX15KDM4E
SCHEMBL21944056 0.81 PPARA (0.58) ALOX15PPARDPPARAALOX12PPARG
SCHEMBL17414653 0.80 KDM6B (0.66) SLC7A5KDM6BALOX15KDM4ERECQL
SCHEMBL1755353 0.80 KDM6B (0.66) SLC7A5KDM6BALOX15KDM4ERECQL
SCHEMBL17211513 0.80 KDM6B (0.66) SLC7A5KDM6BALOX15KDM4ERECQL
SCHEMBL30388652 0.80 KDM6B (0.66) SLC7A5KDM6BALOX15KDM4ERECQL

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-10639608-B2 System, device and method for preparing tracers and transferring materials during radiosynthesis SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2020-05-05 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-10639608-B2 System, device and method for preparing tracers and transferring materials during radiosynthesis TERT, VHL, REV1 GABRA1 4207/4885GABRB2 4714/4885SLC7A5 189/4885

“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.