SCHEMBL21311147

SCHEMBL21311147

CCC(C)n1c2ccccc2c2ccc(C(F)(F)F)cc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.57
PDE2A O00408 2/20 0.39
NPY5R Q15761 1/20 0.37
RORA P35398 1/20 0.37
RORC P51449 1/20 0.37
RORB Q92753 1/20 0.37
DNM1 Q05193 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAT2A P31153 1/20 0.36
S1PR1 P21453 1/20 0.35
HPGD P15428 2/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.35
MAPK10 P53779 1/20 0.35
HTR2A P28223 2/20 0.35
HTR2B P41595 2/20 0.35
HTR2C P28335 1/20 0.35
KDM4E B2RXH2 2/20 0.35
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL21311174 0.87 KIF11 (0.46) KIF11PDE2ARORARORCRORB
SCHEMBL20097052 0.85 KIF11 (0.64) KIF11PDE2ANPY5RRORARORC
SCHEMBL18404644 0.81 GPR3 (0.44) DNM1ALDH1A1HPGDMAPTKDM4E
SCHEMBL127116 0.81 GPR3 (0.44) DNM1ALDH1A1HPGDMAPTKDM4E
SCHEMBL14164189 0.81 GPR3 (0.44) DNM1ALDH1A1HPGDMAPTKDM4E
SCHEMBL21311182 0.78 KIF11 (0.51) KIF11RORARORCRORBALDH1A1
SCHEMBL24668045 0.77 RXRA (0.44) DNM1ALDH1A1HPGDMAPTKDM4E
SCHEMBL21304002 0.76 NPY5R (0.59) KIF11NPY5RRORARORCRORB
SCHEMBL21454578 0.73 KIF11 (1.00) KIF11NPY5RALDH1A1MAT2AHPGD
SCHEMBL15458646 0.73 RORC (0.43) NPY5RRORARORCRORBALDH1A1

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 KIF11 3214/4885PDE2A 3778/4885NPY5R 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.