SCHEMBL16709394

SCHEMBL16709394

Cc1ccc(C=O)cc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 3/20 0.49
SLC1A2 P43004 3/20 0.49
SLC1A1 P43005 3/20 0.49
NFE2L2 Q16236 1/20 0.44
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNA3 P22001 1/20 0.41
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
RAF1 P04049 3/20 0.40
RORC P51449 1/20 0.40
RORB Q92753 1/20 0.40
BRAF P15056 2/20 0.40
MAPK14 Q16539 1/20 0.39
IKBKB O14920 1/20 0.39
BRD4 O60885 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
XDH P47989 1/20 0.39
PIN1 Q13526 1/20 0.39

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
SCHEMBL26375402 0.82 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1ALDH1A1KCNA3
SCHEMBL16709397 0.82 NOTUM (0.39) SLC1A3SLC1A2SLC1A1NFE2L2ALDH1A1
SCHEMBL16711687 0.82 AKR1C3 (0.49) ALDH1A1POLBL3MBTL1AKR1C3AKR1C2
SCHEMBL17969145 0.82 AKR1C3 (0.41) SLC1A3SLC1A2SLC1A1NFE2L2ALDH1A1
SCHEMBL26704142 0.81 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1NFE2L2ALDH1A1
SCHEMBL30679636 0.81 AKR1C3 (0.53) NFE2L2ALDH1A1POLBL3MBTL1AKR1C3
SCHEMBL18002413 0.80 HTR1A (0.40) SLC1A3SLC1A2SLC1A1NFE2L2ALDH1A1
SCHEMBL16709388 0.80 S1PR4 (0.41) ALDH1A1KCNA3AKR1C3AKR1C2BRD4
SCHEMBL12629284 0.80 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1NFE2L2KCNA3
SCHEMBL30679637 0.79 RORB (0.49) NFE2L2ALDH1A1POLBL3MBTL1AKR1C3

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-20150133467-A1 SCREENING METHOD, PROTEIN INSTABILITY AND/OR STABILITY INDUCERS, AND PROTEIN ACTIVITY ASSESSMENT KYOTO UNIVERSITY (JP) 2015-05-14 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-20150133467-A1 SCREENING METHOD, PROTEIN INSTABILITY AND/OR STABILITY INDUCERS, AND PROTEIN ACTIVITY ASSESSMENT IGF2BP1, IGF2BP2, IGF2BP3 SLC1A3 3888/4885SLC1A2 3248/4885SLC1A1 3634/4885

“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.