SCHEMBL12224654

SCHEMBL12224654

CC(O)c1ccc(C2CCC(OC(=O)c3ccc(C4CCC(c5ccc(C6CO6)c(F)c5F)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.32
▸ CES2 O00748 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ HTR3A P46098 3/20 0.31
▸ PIM1 P11309 2/20 0.31
▸ TP53 P04637 1/20 0.30
▸ ACACB O00763 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
SCHEMBL12222860 0.93 PIM1 (0.34) PDE2APIM1
SCHEMBL12836053 0.89 PDE2A (0.31) PDE2ACES2CES1PIM1
SCHEMBL11943794 0.89 PDE2A (0.31) PDE2ACES2CES1PIM1
SCHEMBL12823048 0.88 PDE2A (0.32) PDE2ATP53ACACB
SCHEMBL12821309 0.88 PDE2A (0.32) PDE2ATP53ACACB
SCHEMBL12719463 0.86 PDE2A (0.34) PDE2ATP53
SCHEMBL12821305 0.86 PDE2A (0.34) PDE2ATP53
SCHEMBL13264065 0.85 PDE2A (0.30) PDE2A
SCHEMBL13586257 0.84 APP (0.31) —
SCHEMBL12223967 0.84 PIM1 (0.30) PIM1

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-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-10-06 — — 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-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE NCAPD3, CCND3, ZKSCAN2 PDE2A 2787/4885CES2 3238/4885CES1 3255/4885

“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.

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