SCHEMBL13445159

SCHEMBL13445159

Cc1cc(-c2ccc(-c3ccc(C(=O)c4ccc(C(F)(F)F)cc4)cc3)cc2)ccc1-c1ccc(C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.54
KDM1A O60341 2/20 0.48
VNN1 O95497 1/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.46
CYP2C8 P10632 1/20 0.46
PTPN5 P54829 1/20 0.43
SRD5A2 P31213 1/20 0.42
XDH P47989 1/20 0.42
PPARA Q07869 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
NSD2 O96028 1/20 0.40
PDK2 Q15119 1/20 0.40
APP P05067 1/20 0.40

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
SCHEMBL13445154 1.00 KIF11 (0.54) KIF11KDM1AVNN1PTGDR2CYP2C8
SCHEMBL13410666 0.90 CYP2C8 (0.55) KIF11KDM1ACYP2C8SRD5A2PPARA
SCHEMBL13445162 0.85 KIF11 (0.73) KIF11KDM1AVNN1PTGDR2CYP2C8
SCHEMBL13445157 0.85 KIF11 (0.73) KIF11KDM1AVNN1PTGDR2CYP2C8
SCHEMBL12424200 0.85 CYP2C8 (0.53) KIF11KDM1ACYP2C8SRD5A2PPARA
SCHEMBL12424201 0.85 CYP2C8 (0.53) KIF11KDM1ACYP2C8SRD5A2PPARA
SCHEMBL12423989 0.85 CYP2C8 (0.53) KIF11KDM1ACYP2C8SRD5A2PPARA
SCHEMBL12424199 0.85 CYP2C8 (0.53) KIF11KDM1ACYP2C8SRD5A2PPARA
SCHEMBL17166056 0.85 CYP2C8 (0.53) KIF11KDM1ACYP2C8SRD5A2PPARA
SCHEMBL12424198 0.85 CYP2C8 (0.53) KIF11KDM1ACYP2C8SRD5A2PPARA

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-20100078607-A1 NON-RESONANT TWO-PHOTON ABSORPTION RECORDING MATERIAL AND NON-RESONANT TWO-PHOTON ABSORPTION COMPOUND FUJIFILM CORPORATION (JP) 2010-04-01 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-20100078607-A1 NON-RESONANT TWO-PHOTON ABSORPTION RECORDING MATERIAL AND NON-RESONANT TWO-PHOTON ABSORPTION COMPOUND SIGMAR1, SFN, CRY2 KIF11 4606/4885KDM1A 3542/4885VNN1 4262/4885

“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.