SCHEMBL12823804

SCHEMBL12823804

C=Cc1ccc(-c2ccc(-c3ccc(OCc4ccc(C5CO5)c(F)c4)cc3)c(F)c2F)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
GYS1 P13807 4/20 0.34
MAOB P27338 7/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
F10 P00742 1/20 0.33
MAOA P21397 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
GRM5 P41594 1/20 0.32
PTPN1 P18031 1/20 0.32
GSTP1 P09211 1/20 0.32

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
SCHEMBL13586502 0.94 F10 (0.36) BRD4MAOBF10MAOANR1H4
SCHEMBL13586573 0.87 GYS1 (0.33) GYS1MAOBFFAR4NR1H4
SCHEMBL13586380 0.86 BRD4 (0.38) BRD4
SCHEMBL12716882 0.85 NAAA (0.33) BRD4FFAR4F10PTPN1
SCHEMBL12823839 0.84 NR1H4 (0.35) BRD4GYS1FFAR4F10NR1H4
SCHEMBL12822614 0.84 MAOB (0.39) BRD4MAOBFFAR4MAOA
SCHEMBL12823844 0.84 FFAR4 (0.33) GYS1FFAR4
SCHEMBL12823373 0.84 FFAR4 (0.33) GYS1FFAR4
SCHEMBL12823849 0.84 FFAR1 (0.36) BRD4GYS1MAOBFFAR4F10
SCHEMBL13654179 0.83 GYS1 (0.37) GYS1MAOBFFAR4

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 BRD4 1478/4885GYS1 4252/4885MAOB 3160/4885

“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.