SCHEMBL22397207

SCHEMBL22397207

C/C(=C/C(=O)O)c1ccc(Cl)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
KCNQ3 O43525 2/20 0.42
KCNQ2 O43526 2/20 0.42
KCNE1 P15382 2/20 0.42
KCNQ1 P51787 2/20 0.42
KCNQ5 Q9NR82 1/20 0.42
TSHR P16473 1/20 0.39
TBXAS1 P24557 3/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KMO O15229 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL22397208 1.00 NR4A1 (0.50) NR4A1NR4A2NR4A3KCNQ3KCNQ2
SCHEMBL2576659 0.84 NR4A1 (0.54) NR4A1NR4A2NR4A3KCNQ3KCNQ2
SCHEMBL2576657 0.84 NR4A1 (0.54) NR4A1NR4A2NR4A3KCNQ3KCNQ2
SCHEMBL4024078 0.84 TSHR (0.57) NR4A1NR4A2NR4A3TSHRRAB9A
SCHEMBL6704901 0.84 TSHR (0.57) NR4A1NR4A2NR4A3TSHRRAB9A
Hydrochloric Acid SCHEMBL6785536 0.83 TSHR (0.55) NR4A1NR4A2NR4A3TSHRKMO
SCHEMBL2572494 0.81 HDAC1 (0.53) NR4A1NR4A2NR4A3KCNQ3KCNQ2
SCHEMBL3203900 0.81 HDAC1 (0.53) NR4A1NR4A2NR4A3KCNQ3KCNQ2
SCHEMBL6933705 0.81 NR4A1 (0.47) NR4A1NR4A2NR4A3TSHRTBXAS1
SCHEMBL28517911 0.79 F2 (0.42) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200347033-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC 2020-11-05 US disclosed
EP-3704091-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2020-09-09 EP 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-20200347033-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, IRF3 NR4A1 1140/4885NR4A2 412/4885NR4A3 743/4885

“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.