SCHEMBL13026076

SCHEMBL13026076

CCCCCC1CCC(CCc2ccc(OCC)c(F)c2C(F)(F)F)CC1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
CYP1A2 P05177 1/20 0.30
CNR2 P34972 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
SCHEMBL13026084 0.97
SCHEMBL13026086 0.94
SCHEMBL13026096 0.92 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3CNR2
SCHEMBL12834395 0.91 KDM1A (0.32) MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL8455544 0.89 KDM1A (0.33) GAAMAPTCYP1A2CNR2
SCHEMBL8455541 0.89 KDM1A (0.33) GAAMAPTCYP1A2CNR2
SCHEMBL13026113 0.88 ALDH1A1 (0.30) MAPT
SCHEMBL1509899 0.88 ALDH1A1 (0.30) MAPT
SCHEMBL12834396 0.88 HPGD (0.34) HPGDSLC6A2SLC6A4SLC6A3
SCHEMBL8448569 0.88 CNR2 (0.34) GAAMAPTCNR2

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-7838087-B2 Benzene derivative, liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2010-11-23 US disclosed
US-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device JNC PETROCHEMICAL CORPORATION (JP) 2007-08-30 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-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device CCND2, YBX1, CNKSR1 GAA 4604/4885MAPT 1989/4885HPGD 4247/4885

“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.