SCHEMBL12223634

SCHEMBL12223634

O=C(OC1CCC(C2CCC(c3ccc(O)c(F)c3F)CC2)CC1)C1CCC(c2ccc(O)c(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 1/20 0.34
▸ HCRTR2 O43614 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ SERPINE1 P05121 1/20 0.31
▸ KDM4D Q6B0I6 1/20 0.30
▸ NOTUM Q6P988 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
SCHEMBL12223018 1.00 TYR (0.34) TYRHCRTR2ESR1ESR2MEN1
SCHEMBL12223380 0.92 TYR (0.31) TYR
SCHEMBL12223554 0.91 TYR (0.34) TYRHCRTR2ESR1ESR2MEN1
SCHEMBL12223935 0.91 TYR (0.34) TYRHCRTR2ESR1ESR2MEN1
SCHEMBL12223619 0.90 SMN1; SMN2 (0.36) TYRHCRTR2
SCHEMBL12223611 0.85 CCNT1 (0.31) —
SCHEMBL12223033 0.85 CCNT1 (0.31) —
SCHEMBL12223035 0.85 TYR (0.31) TYR
SCHEMBL12223383 0.85 TYR (0.31) TYR
SCHEMBL14922631 0.83 SMN1; SMN2 (0.40) HCRTR2MEN1KMT2A

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 TYR 1107/4885HCRTR2 237/4885ESR1 2424/4885

“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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