SCHEMBL13025868

SCHEMBL13025868

CCCC1CCC(C2CCC(C(=O)Oc3ccc(C)c(C(F)F)c3F)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
CYP2C9 P11712 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TLR4 O00206 1/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
GAA P10253 1/20 0.31
VEGFA P15692 1/20 0.30
HRH1 P35367 1/20 0.30
CCR3 P51677 1/20 0.30
GBA1 P04062 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
SCHEMBL12834376 0.97 CYP2C9 (0.33) POLBNPC1HTTCYP2C9MEN1
SCHEMBL16983551 0.88 NPC1 (0.32) POLBNPC1CYP2C9MEN1KMT2A
SCHEMBL16983261 0.88 NPC1 (0.32) POLBNPC1CYP2C9MEN1KMT2A
SCHEMBL13025708 0.86 HPGD (0.38) POLBNPC1CYP2C9MAPTLMNA
SCHEMBL16983505 0.86 NPC1 (0.31) POLBNPC1MAPTGAA
SCHEMBL16983355 0.84 NPC1 (0.34) POLBNPC1CYP2C9MEN1KMT2A
SCHEMBL16983282 0.83 NPC1 (0.30) NPC1
SCHEMBL13025651 0.83 HPGD (0.39) POLBCYP2C9MEN1KMT2ARAB9A
SCHEMBL9406600 0.83 CYP2C9 (0.40) POLBNPC1HTTCYP2C9MEN1
SCHEMBL9406597 0.83 CYP2C9 (0.40) POLBNPC1HTTCYP2C9MEN1

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 4 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-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
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 POLB 2087/4885NPC1 3260/4885HTT 1952/4885

“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.