SCHEMBL12821970

SCHEMBL12821970

COc1ccc(C2CCC(C(=O)Oc3ccc(C4CCC(OC)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE4B Q07343 3/20 0.37
POLB P06746 1/20 0.37
PDE4A P27815 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
PDE5A O76074 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.34
GRM1 Q13255 1/20 0.34
GRK6 P43250 1/20 0.34
USP30 Q70CQ3 1/20 0.34
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33

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
SCHEMBL12823179 1.00 HPGD (0.40) HPGDMEN1KMT2ARAB9AL3MBTL1
SCHEMBL12719433 0.89 HPGD (0.43) HPGDMEN1KMT2ARAB9AL3MBTL1
SCHEMBL12823142 0.89 HPGD (0.43) HPGDMEN1KMT2ARAB9AL3MBTL1
SCHEMBL12822526 0.89 PDE4B (0.43) HPGDRAB9APDE4BPDE4APDE4C
SCHEMBL12823095 0.88 MEN1 (0.35) HPGDMEN1KMT2ARAB9AL3MBTL1
SCHEMBL12821237 0.88 PTGDR2 (0.37) HPGDRAB9APOLBALDH1A1
SCHEMBL12742034 0.87 POLB (0.40) HPGDMEN1KMT2ARAB9AL3MBTL1
SCHEMBL12737154 0.87 POLB (0.40) HPGDMEN1KMT2ARAB9AL3MBTL1
SCHEMBL12742049 0.87 HPGD (0.38) HPGDMEN1KMT2ARAB9AL3MBTL1
SCHEMBL12737161 0.87 HPGD (0.38) HPGDMEN1KMT2ARAB9AL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 WO 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 4781/4885MEN1 2496/4885KMT2A 1271/4885

“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.