SCHEMBL12822728

SCHEMBL12822728

C=CCCOc1ccc(COC2CCC(c3ccc(C4CCC(C(C)O)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.33
SIGMAR1 Q99720 5/20 0.33
NAAA Q02083 1/20 0.33
TMEM97 Q5BJF2 3/20 0.32
HTR6 P50406 1/20 0.32
ACACB O00763 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
MDM2 Q00987 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
SCHEMBL12719099 0.91 ALDH1A1 (0.35) DRD4SIGMAR1NAAATMEM97HTR6
SCHEMBL14767246 0.90 DRD4 (0.36) DRD4SIGMAR1NAAATMEM97HTR6
SCHEMBL12719298 0.90 DRD4 (0.33) DRD4SIGMAR1NAAATMEM97HTR6
SCHEMBL12822771 0.88 NAAA (0.33) DRD4SIGMAR1NAAAALOX5APFEN1
SCHEMBL12740252 0.88 KDM4E (0.35) DRD4SIGMAR1NAAATMEM97HTR6
SCHEMBL12823789 0.88 DRD4 (0.36) DRD4SIGMAR1NAAATMEM97HTR6
SCHEMBL10303350 0.88 HTR6 (0.32) DRD4SIGMAR1NAAATMEM97HTR6
SCHEMBL12823841 0.87 PPARD (0.35) ALOX5APFEN1
SCHEMBL12823042 0.87 ACACB (0.31) NAAAACACB
SCHEMBL12823459 0.86 ACACB (0.33) ACACB

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 2 patents. 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
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 DRD4 97/4885SIGMAR1 1690/4885NAAA 3997/4885

“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.