SCHEMBL12366305

SCHEMBL12366305

CCC1CCC(C2CCC3(CC2)OCCO3)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 2/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL87245 0.87 POLB (0.42) LMNAMAPK1POLBALDH1A1TSHR
SCHEMBL19755042 0.84 LMNA (0.32) LMNAMAPK1
SCHEMBL19755030 0.80 PKM (0.39) LMNAMAPK1POLBALDH1A1KMT2A
SCHEMBL12662905 0.80 LMNA (0.33) LMNAMAPK1ALDH1A1TSHR
SCHEMBL17459629 0.79 MEN1 (0.33) LMNAMAPK1ALDH1A1KMT2A
SCHEMBL17459592 0.79 MEN1 (0.33) LMNAMAPK1ALDH1A1KMT2A
SCHEMBL17459584 0.79 CTSS (0.32) LMNAMAPK1TSHRSMN1; SMN2
SCHEMBL6460378 0.79 TLR4 (0.35) LMNAMAPK1ALDH1A1
SCHEMBL9895084 0.79 TLR4 (0.35) LMNAMAPK1ALDH1A1
SCHEMBL19339212 0.77 MAPK1 (0.34) LMNAMAPK1POLBALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003006-B2 Difluorobenzene derivative and nematic liquid crystal composition using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2011-08-23 US disclosed
US-7670504-B2 Nematic liquid crystal composition and liquid crystal display device using the same DAINIPPON INK & CHEMICALS, INC. (JP) 2010-03-02 US disclosed
US-7651630-B2 Difluorobenzene derivative and nematic liquid crystal composition using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2010-01-26 US disclosed
US-20090200514-A1 DIFLUOROBENZENE DERIVATIVE AND NEMATIC LIQUID CRYSTAL COMPOSITION USING THE SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2009-08-13 US disclosed
US-20090050843-A1 DIFLUOROBENZENE DERIVATIVE AND NEMATIC LIQUID CRYSTAL COMPOSITION USING THE SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2009-02-26 US disclosed
US-20080111107-A1 Nematic Liquid Crystal Composition And Liquid Crystal Display Device Using The Same DAINIPPON INK AND CHEMICALS, INC. (JP) 2008-05-15 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 (3 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-20090050843-A1 DIFLUOROBENZENE DERIVATIVE AND NEMATIC LIQUID CRYSTAL COMPOSITION USING THE SAME HCN2, TRPV2, TRPV5 LMNA 2613/4885MAPK1 1332/4885POLB 3254/4885
US-20090200514-A1 DIFLUOROBENZENE DERIVATIVE AND NEMATIC LIQUID CRYSTAL COMPOSITION USING THE SAME TRPV2, HCN2, DVL1 LMNA 2837/4885MAPK1 1849/4885POLB 3735/4885
US-20080111107-A1 Nematic Liquid Crystal Composition And Liquid Crystal Display Device Using The Same PIEZO1, KIF20B, VCL LMNA 1459/4885MAPK1 1619/4885POLB 616/4885

“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.