SCHEMBL4320971

SCHEMBL4320971

CCOc1ccc(C2CCC(CC=O)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KDM1A O60341 2/20 0.33
CAMKK1 Q8N5S9 1/20 0.32
CAMKK2 Q96RR4 1/20 0.32
CNR2 P34972 6/20 0.32
CNR1 P21554 2/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
HCRTR2 O43614 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
HTR1A P08908 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
IDO1 P14902 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
SCHEMBL5079046 0.87 CNR2 (0.35) HPGDKDM1ACNR2CNR1HTR1A
SCHEMBL5079050 0.87 CNR2 (0.35) HPGDKDM1ACNR2CNR1HTR1A
SCHEMBL14922531 0.85 KDM1A (0.41) HPGDALDH1A1LMNATSHRHSD17B10
SCHEMBL1014494 0.85 HTR2A (0.36) HPGDALDH1A1LMNATSHRHSD17B10
SCHEMBL9405701 0.84 KDM1A (0.36) HPGDALDH1A1LMNATSHRHSD17B10
SCHEMBL12716045 0.84 KDM1A (0.36) HPGDALDH1A1LMNATSHRHSD17B10
SCHEMBL26209544 0.84 KDM1A (0.36) HPGDALDH1A1LMNATSHRHSD17B10
SCHEMBL9405698 0.84 KDM1A (0.36) HPGDALDH1A1LMNATSHRHSD17B10
SCHEMBL17827783 0.84 KDM1A (0.36) HPGDALDH1A1LMNATSHRHSD17B10
SCHEMBL9927548 0.84 CNR2 (0.33) HPGDKDM1ACNR2CNR1PTGDR2

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-8372306-B2 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2013-02-12 US disclosed
US-20090324854-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-12-31 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-20090324854-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CTNND1, YWHAZ, OCIAD2 HPGD 3723/4885ALDH1A1 3044/4885LMNA 1550/4885

“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.