SCHEMBL12822307

SCHEMBL12822307

CCCC(O)C1CCC(c2ccc(OC(=O)C3CCC(c4ccc(O)c(F)c4F)CC3)c(F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ IDO1 P14902 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL12823905 1.00 HPGD (0.33) HPGDESR1ESR2MEN1RAB9A
SCHEMBL12822095 0.91 HPGD (0.39) HPGDMEN1RAB9AKMT2AL3MBTL1
SCHEMBL13586384 0.91 HPGD (0.39) HPGDMEN1RAB9AKMT2AL3MBTL1
SCHEMBL12823344 0.90 HPGD (0.33) HPGD
SCHEMBL12822859 0.89 HPGD (0.33) HPGDKMT2A
SCHEMBL12823145 0.88 HPGD (0.32) HPGDMEN1RAB9AKMT2AL3MBTL1
SCHEMBL12223359 0.87 HPGD (0.34) HPGDESR1ESR2MEN1RAB9A
SCHEMBL12823919 0.86 KMT2A (0.33) HPGDMEN1RAB9AKMT2AL3MBTL1
SCHEMBL12223561 0.85 KMT2A (0.41) HPGDESR1ESR2MEN1RAB9A
SCHEMBL12822742 0.84 ATM (0.38) MEN1KMT2AL3MBTL1

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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 HPGD 4781/4885ESR1 1665/4885ESR2 1733/4885

“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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