SCHEMBL21311348

SCHEMBL21311348

Cc1ccc2c(c1)c1ccc(C(F)(F)F)cc1n2C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
KIF11 P52732 4/20 0.45
RORA P35398 2/20 0.40
RORC P51449 2/20 0.40
RORB Q92753 2/20 0.40
NPY5R Q15761 1/20 0.40
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
NR1I2 O75469 1/20 0.36
EGFR P00533 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
TBXA2R P21731 1/20 0.36
PTGS2 P35354 1/20 0.36
OPRD1 P41143 1/20 0.36
PDE4D Q08499 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
SCHEMBL20097037 0.84 KIF11 (0.51) ALDH1A1KIF11RORARORCRORB
SCHEMBL20096974 0.84 NR1I2 (0.47) RORARORCRORBNPY5RMEN1
SCHEMBL21304004 0.84 ALDH1A1 (0.55) ALDH1A1KIF11RORARORCRORB
SCHEMBL20097052 0.83 KIF11 (0.64) ALDH1A1KIF11RORARORCRORB
SCHEMBL19373829 0.81 NR1I2 (0.43) ALDH1A1KIF11RORARORCRORB
SCHEMBL13338392 0.80 MEN1 (0.45) RORARORCRORBNPY5RMEN1
SCHEMBL20096977 0.80 NPY5R (0.41) KIF11NPY5RMEN1KMT2ANR1I2
SCHEMBL21304002 0.80 NPY5R (0.59) ALDH1A1KIF11RORARORCRORB
SCHEMBL20096909 0.80 KIF11 (0.69) ALDH1A1KIF11RORARORCRORB
SCHEMBL21311349 0.79 RORA (0.41) ALDH1A1KIF11RORARORCRORB

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-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-08-29 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-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS POLRMT, EIF2AK2, NSUN3 ALDH1A1 3845/4885KIF11 3214/4885RORA 2229/4885

“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.