SCHEMBL12787263

SCHEMBL12787263

O=C(Oc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)C1CCC(O)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ ELANE P08246 2/20 0.46
▸ AURKA O14965 1/20 0.45
▸ TPX2 Q9ULW0 1/20 0.45
▸ EPHX2 P34913 5/20 0.44
▸ SLC6A4 P31645 3/20 0.43
▸ AKR1C2 P52895 1/20 0.42
▸ AKR1C1 Q04828 1/20 0.42
▸ MMP12 P39900 1/20 0.42
▸ POLB P06746 2/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ FASN P49327 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ EPHX1 P07099 1/20 0.39

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
SCHEMBL15092031 0.89 HTT (0.61) HTTKMT2ASMN1; SMN2TDP1ELANE
SCHEMBL14096173 0.82 KMT2A (0.41) HTTKMT2ASMN1; SMN2TDP1ELANE
SCHEMBL27309277 0.82 KMT2A (0.66) HTTKMT2ASMN1; SMN2TDP1ELANE
SCHEMBL14817286 0.82 KMT2A (0.56) HTTKMT2ASMN1; SMN2TDP1ELANE
SCHEMBL12730854 0.80 HTT (0.41) HTTKMT2ASMN1; SMN2TDP1ELANE
SCHEMBL13671340 0.79 HTT (0.49) HTTKMT2ASMN1; SMN2TDP1ELANE
SCHEMBL12787254 0.79 KMT2A (0.49) HTTKMT2ASMN1; SMN2TDP1ELANE
SCHEMBL9061601 0.79 HTT (0.49) HTTKMT2ASMN1; SMN2TDP1ELANE
SCHEMBL9061608 0.79 HTT (0.49) HTTKMT2ASMN1; SMN2TDP1ELANE
SCHEMBL19883159 0.79 HTT (0.49) HTTKMT2ASMN1; SMN2TDP1ELANE

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 HTT 3389/4885KMT2A 2708/4885SMN1; SMN2 3851/4885

“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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