SCHEMBL12624342

SCHEMBL12624342

CCCCCC1CCC(c2ccc(-c3ccc(OC(=O)C4CCC(C(F)(F)Oc5cc(F)c(F)c(F)c5)CC4)c(F)c3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
DGAT1 O75907 2/20 0.31
P2RY14 Q15391 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 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
SCHEMBL12624499 0.85
SCHEMBL12622617 0.84 OPRL1 (0.34) CYP2C9DGAT1
SCHEMBL12624344 0.84
SCHEMBL12622624 0.83 OPRL1 (0.33) MAPTDGAT1P2RY14
SCHEMBL12622618 0.83 OPRL1 (0.33) MAPTDGAT1P2RY14
SCHEMBL16560261 0.82 CYP2C9 (0.34) CYP2C9NR1H4ALDH1A1LMNAMAPT
SCHEMBL12622616 0.81 OPRL1 (0.34) CYP2C9DGAT1
SCHEMBL12622760 0.81 CYP2C9 (0.34) CYP2C9ALDH1A1LMNAMAPT
SCHEMBL12622868 0.81 CYP2C9 (0.34) CYP2C9ALDH1A1LMNAMAPT
SCHEMBL12622385 0.80 PDE2A (0.31)

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-7951432-B2 Five-ring liquid crystal compound having cyclohexane ring, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-05-31 US disclosed
US-20090302273-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-12-10 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-20090302273-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE ZYX, PYM1, CPNE4 CYP2C9 813/4885NR1H4 1630/4885ALDH1A1 3021/4885

“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.