SCHEMBL18015237

SCHEMBL18015237

CCOc1ccc(C2=COC(C)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.33
ESR1 P03372 1/20 0.31
FPR2 P25090 1/20 0.30
NPC1 O15118 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL17070649 0.99 KDM1A (0.32) KDM1AESR1FPR2
SCHEMBL17070646 0.91 GRM2 (0.34) KDM1AESR1FPR2NPC1
SCHEMBL17070876 0.88
SCHEMBL17063626 0.83 NPC1 (0.33) KDM1ANPC1
SCHEMBL17070647 0.83 ALDH1A1 (0.32)
SCHEMBL17070700 0.82 NOTUM (0.31) KDM1AFPR2
SCHEMBL17070877 0.81
SCHEMBL17070872 0.81 GRM2 (0.33)
SCHEMBL5818099 0.80 CYP1A2 (0.35)
SCHEMBL17070875 0.80 KDM1A (0.33) KDM1ANPC1TSHR

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-20160230094-A1 LIQUID CRYSTAL COMPOUND HAVING A 3,6-DIHYDRO-2H-PYRAN RING, NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-08-11 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-20160230094-A1 LIQUID CRYSTAL COMPOUND HAVING A 3,6-DIHYDRO-2H-PYRAN RING, NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, ZKSCAN2, ZRANB2 KDM1A 1810/4885ESR1 3906/4885FPR2 893/4885

“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.