SCHEMBL13445162

SCHEMBL13445162

N#Cc1ccc(-c2ccc(-c3ccc(C(=O)c4ccc(C(F)(F)F)cc4)cc3)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.73
VNN1 O95497 1/20 0.59
SRD5A2 P31213 2/20 0.56
PTPN5 P54829 1/20 0.55
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.48
CYP2C8 P10632 1/20 0.48
KDM1A O60341 1/20 0.47
MLYCD O95822 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
RXRA P19793 1/20 0.46
RXRG P48443 1/20 0.46
EPHX2 P34913 1/20 0.45
DGAT1 O75907 1/20 0.45
SOAT1 P35610 1/20 0.45
KCNH2 Q12809 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP3A5 P20815 1/20 0.44

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
SCHEMBL13445157 1.00 KIF11 (0.73) KIF11VNN1SRD5A2PTPN5CES2
SCHEMBL28000964 0.86 SRD5A2 (0.73) KIF11SRD5A2CES2CES1CYP2C8
SCHEMBL13410662 0.86 SRD5A2 (0.73) KIF11SRD5A2CES2CES1CYP2C8
SCHEMBL13063632 0.86 KIF11 (1.00) KIF11PTPN5PTGDR2RXRARXRG
SCHEMBL3456838 0.86 KIF11 (1.00) KIF11PTPN5PTGDR2RXRARXRG
SCHEMBL13445159 0.85 KIF11 (0.54) KIF11VNN1SRD5A2PTPN5PTGDR2
SCHEMBL13445154 0.85 KIF11 (0.54) KIF11VNN1SRD5A2PTPN5PTGDR2
Oxalic Acid SCHEMBL27590382 0.80 KIF11 (0.68) KIF11VNN1SRD5A2PTPN5CES2
SCHEMBL3433075 0.80 CA2 (0.67) VNN1SRD5A2CA1CA2
SCHEMBL524351 0.80 KIF11 (0.86) KIF11VNN1PTPN5PTGDR2CA2

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 4606/4885VNN1 4262/4885SRD5A2 1702/4885

“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.