SCHEMBL12626537

SCHEMBL12626537

CCCCCC1CCC(c2ccc(C3CCC(c4cc(F)c(C(F)(F)Oc5cc(F)c(F)c(F)c5)c(F)c4)CC3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
SPHK1 Q9NYA1 3/20 0.33
GAA P10253 1/20 0.31
CCR2 P41597 3/20 0.31
ESR2 Q92731 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
SCHEMBL7722877 0.97 MEN1 (0.32) MAPTMEN1KMT2AGAA
SCHEMBL7722879 0.97 MEN1 (0.32) MAPTMEN1KMT2AGAA
SCHEMBL12624596 0.96 CYP2C9 (0.34) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL17552976 0.94 MEN1 (0.30) MEN1KMT2A
SCHEMBL7730846 0.93 CYP1A2 (0.30)
SCHEMBL7730842 0.93 CYP1A2 (0.30)
SCHEMBL12626546 0.93 OPRL1 (0.33)
SCHEMBL16257997 0.93 CYP2C9 (0.33) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL12625827 0.91 MEN1 (0.31) MAPTMEN1KMT2AGAA
SCHEMBL16258079 0.91 MEN1 (0.31) MAPTMEN1KMT2AGAA

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-7951433-B2 Five-ring liquid crystal compound having CF2O bonding group, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-05-31 US disclosed
US-20100127211-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CF20 BONDING GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-05-27 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-20100127211-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CF20 BONDING GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CFAP20, KIF20A, KIF20B CYP2C9 827/4885MAPT 864/4885MEN1 3442/4885

“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.