SCHEMBL12730879

SCHEMBL12730879

O=C(OC1CCC(c2ccc(OC(F)(F)F)cc2)CC1)C1CCC2OC2C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.41
▸ F2R P25116 3/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ EPHX2 P34913 5/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ MGLL Q99685 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.33
▸ P2RY14 Q15391 1/20 0.33

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
SCHEMBL12730890 0.88 HTT (0.40) EPHX2HSD11B1FAAHPOLBMGLL
SCHEMBL12787663 0.82 EPHX2 (0.41) HRH3EPHX2HSD11B1FAAHPOLB
SCHEMBL12730874 0.80 PAX8 (0.38) HSD11B1FAAHFFAR4
SCHEMBL12730854 0.78 HTT (0.41) EPHX2HSD11B1POLBMGLLMMP12
SCHEMBL12730881 0.77 APOL1 (0.33) —
SCHEMBL12730828 0.77 RAB9A (0.39) HRH3FFAR4
SCHEMBL12385380 0.76 PPM1B (0.35) —
SCHEMBL12730866 0.76 ELANE (0.42) HRH3EPHX2HSD11B1FAAHPOLB
SCHEMBL12730872 0.75 GPR119 (0.36) HRH3F2RCNR1TMEM97EPHX2
SCHEMBL9486740 0.74 NPC1 (0.55) EPHX2HSD11B1FAAHMMP12FFAR4

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-8404316-B2 Polymerizable liquid crystal compound and its polymer JNC CORPORATION (JP) 2013-03-26 — — US disclosed
US-20110086185-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND AND ITS POLYMER CHISSO CORPORATION (JP) 2011-04-14 — — 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-20110086185-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND AND ITS POLYMER CCNT1, POF1B, CCND3 HRH3 203/4885F2R 1075/4885CNR1 891/4885

“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.

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