SCHEMBL12223935

SCHEMBL12223935

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SERPINE1 P05121 1/20 0.33
▸ HCRTR2 O43614 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ ACACB O00763 1/20 0.30
▸ KDM4D Q6B0I6 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
SCHEMBL12223554 1.00 TYR (0.34) TYRMEN1RAB9AKMT2AL3MBTL1
SCHEMBL12223018 0.91 TYR (0.34) TYRMEN1RAB9AKMT2AL3MBTL1
SCHEMBL12223634 0.91 TYR (0.34) TYRMEN1RAB9AKMT2AL3MBTL1
SCHEMBL12224679 0.90 SMN1; SMN2 (0.36) TYRACACB
SCHEMBL11938883 0.86 KMT2A (0.41) MEN1RAB9AKMT2AL3MBTL1ESR1
SCHEMBL11939843 0.86 KMT2A (0.41) MEN1RAB9AKMT2AL3MBTL1ESR1
SCHEMBL12222995 0.85 — —
SCHEMBL12224655 0.85 CDK9 (0.37) —
SCHEMBL12223568 0.85 TYR (0.31) TYR
SCHEMBL12222963 0.85 TYR (0.31) TYR

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 1107/4885MEN1 2906/4885RAB9A 1980/4885

“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.

Send feedback