SCHEMBL12823012

SCHEMBL12823012

CCCC(O)C1CCC(c2ccc(C3CCC(OCc4ccc(O)c(F)c4)CC3)c(F)c2F)CC1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 10/20 0.32
▸ SIGMAR1 Q99720 10/20 0.32
▸ TMEM97 Q5BJF2 7/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ DRD3 P35462 2/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ TYR P14679 1/20 0.31
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 1/20 0.30
▸ CARM1 Q86X55 1/20 0.30
▸ PRMT6 Q96LA8 1/20 0.30
▸ PRMT8 Q9NR22 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
SCHEMBL12823100 0.88 DRD4 (0.36) DRD4SIGMAR1TMEM97HTR6ALOX5AP
SCHEMBL12718756 0.87 GPR119 (0.32) DRD4SIGMAR1TMEM97GPR119DRD3
SCHEMBL12823218 0.86 — —
SCHEMBL12823256 0.84 FFAR1 (0.36) ALOX5APFEN1
SCHEMBL12823007 0.84 KDM4E (0.31) —
SCHEMBL12823219 0.84 KDM4E (0.31) —
SCHEMBL10303332 0.83 SIGMAR1 (0.32) DRD4SIGMAR1TMEM97DRD3HTR6
SCHEMBL12823116 0.83 GRIN2B (0.32) ALOX5APFEN1
SCHEMBL12823016 0.83 GPR119 (0.32) GPR119TYR
SCHEMBL12823003 0.83 NUDT1 (0.33) SIGMAR1TMEM97

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 DRD4 97/4885SIGMAR1 1690/4885TMEM97 2963/4885

“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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