SCHEMBL12433595

SCHEMBL12433595

CCCC1CCC(OC(=O)c2c(C)cc(OCC)c(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NAAA Q02083 1/20 0.32
RECQL P46063 1/20 0.32
CYP2C9 P11712 1/20 0.32
SSTR5 P35346 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
SERPINE1 P05121 1/20 0.31
SGPL1 O95470 1/20 0.31
SCN9A Q15858 1/20 0.31
LMNA P02545 3/20 0.31
HTT P42858 2/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL12433558 0.82 CYP2C9 (0.45) MAPTRAB9ACYP2C9LMNAGAA
SCHEMBL9406321 0.78 CYP2C9 (0.36) MAPTSMN1; SMN2NAAACYP2C9LMNA
SCHEMBL9406318 0.78 CYP2C9 (0.36) MAPTSMN1; SMN2NAAACYP2C9LMNA
SCHEMBL21043278 0.75 CYP2C9 (0.33) MAPTCYP2C9LMNAHTTGAA
SCHEMBL2208480 0.75 LMNA (0.32) MAPTLMNAHTTGAATSHR
SCHEMBL2207226 0.74 RIPK1 (0.34) MAPTLMNAHTTGAATSHR
SCHEMBL2207998 0.73 IDO1 (0.35) MAPTLMNAHTTGAATSHR
SCHEMBL19753427 0.73 CHRNA7 (0.38) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL12433616 0.73 SLC6A2 (0.32) MAPTLMNAHTTGAATSHR
SCHEMBL13296658 0.73 NAAA (0.42) NAAACYP2C9SERPINE1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981486-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition JNC CORPORATION (JP) 2011-07-19 US disclosed
US-7981486-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition JNC CORPORATION (JP) 2011-07-19 US disclosed
US-7846513-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition CHISSO CORPORATION (JP) 2010-12-07 US disclosed
US-7846513-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition CHISSO CORPORATION (JP) 2010-12-07 US disclosed
US-20090230356-A1 COMPOUND HAVING ALKYL ON BENZENE RING, LIQUID CRYSTAL COMPOSITION HAVING THE COMPOUND, AND LIQUID CRYSTAL DISPLAY DEVICE HAVING THE LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 2009-09-17 US disclosed
US-20090230356-A1 COMPOUND HAVING ALKYL ON BENZENE RING, LIQUID CRYSTAL COMPOSITION HAVING THE COMPOUND, AND LIQUID CRYSTAL DISPLAY DEVICE HAVING THE LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 2009-09-17 US disclosed
EP-1997867-A1 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition CHISSO CORPORATION (JP) 2008-12-03 EP 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-20090230356-A1 COMPOUND HAVING ALKYL ON BENZENE RING, LIQUID CRYSTAL COMPOSITION HAVING THE COMPOUND, AND LIQUID CRYSTAL DISPLAY DEVICE HAVING THE LIQUID CRYSTAL COMPOSITION BRD1, CNOT1, CXCR1 MAPT 1175/4885SMN1; SMN2 4551/4885NPC1 2166/4885

“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.