SCHEMBL20096980

SCHEMBL20096980

Cc1cccc2c1c1ccc(C(F)(F)F)cc1n2C(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.46
ALDH1A1 P00352 1/20 0.41
NPY5R Q15761 1/20 0.36
PDE2A O00408 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
RORA P35398 1/20 0.34
RORC P51449 1/20 0.34
RORB Q92753 1/20 0.34
PPARG P37231 2/20 0.33
MAT2A P31153 3/20 0.33
P2RX3 P56373 1/20 0.32
PDE10A Q9Y233 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL20096976 0.83 KIF11 (0.43) KIF11ALDH1A1PDE2AMAT2APDE10A
SCHEMBL21311146 0.81 NR1I2 (0.45) ALDH1A1NPY5RHTR2AHTR2CMAPT
SCHEMBL20097052 0.81 KIF11 (0.64) KIF11ALDH1A1NPY5RPDE2ARORA
SCHEMBL21311350 0.80 KIF11 (0.38) KIF11ALDH1A1PDE2ARORARORC
SCHEMBL20096984 0.77 UTS2R (0.46) ALDH1A1NPY5RMAPT
SCHEMBL20097037 0.76 KIF11 (0.51) KIF11ALDH1A1NPY5RPDE2ARORA
SCHEMBL24237299 0.75 ALDH1A1 (0.41) ALDH1A1HTR2AHTR2CMAPT
SCHEMBL21311348 0.74 ALDH1A1 (0.46) KIF11ALDH1A1NPY5RPDE2ARORA
SCHEMBL21304004 0.72 ALDH1A1 (0.55) KIF11ALDH1A1NPY5RPDE2ARORA
SCHEMBL21304002 0.72 NPY5R (0.59) KIF11ALDH1A1NPY5RRORARORC

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-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-08-29 US disclosed
WO-2018075947-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-04-26 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-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS POLRMT, EIF2AK2, NSUN3 KIF11 3214/4885ALDH1A1 3845/4885NPY5R 4867/4885

“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.