SCHEMBL10301619

SCHEMBL10301619

COc1ccc(C2CCC(c3ccc(CO)c(F)c3)CC2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.37
PDE4B Q07343 3/20 0.36
PDE4A P27815 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
FPR2 P25090 3/20 0.35
QDPR P09417 2/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
SUV39H2 Q9H5I1 1/20 0.33
HIF1A Q16665 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL10301620 0.89 KDM1A (0.42) KDM1APDE4AFPR2KDM5AKDM4C
SCHEMBL10301612 0.89 KDM1A (0.38) KDM1APDE4BPDE4APDE4CPDE4D
SCHEMBL10302897 0.86 KDM1A (0.50) KDM1APDE4BPDE4APDE4CPDE4D
SCHEMBL10301613 0.84 SLC6A2 (0.37) KDM1APDE4BPDE4APDE4CPDE4D
SCHEMBL10302693 0.83 DRD4 (0.41)
SCHEMBL10303388 0.82 KDM1A (0.51) KDM1APDE4BPDE4APDE4CPDE4D
SCHEMBL10302436 0.82 FFAR1 (0.43) PDE4BPDE4APDE4CPDE4D
SCHEMBL10302165 0.82 KDM4E (0.36)
SCHEMBL12733715 0.81 KDM1A (0.44) KDM1APDE4BPDE4APDE4CPDE4D
SCHEMBL10301898 0.81 TUBB1 (0.39) PDCD1CD274

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-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 KDM1A 549/4885PDE4B 3277/4885PDE4A 3506/4885

“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.