SCHEMBL4332253

SCHEMBL4332253

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(C(=O)OCCCCCCCCCOc3ccc(-c4ncc(CCCCCCCCC)cn4)cc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ RARB P10826 3/20 0.45
▸ THRB P10828 3/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ LMNA P02545 4/20 0.42
▸ NFKB1 P19838 3/20 0.42
▸ NFKB2 Q00653 3/20 0.42
▸ RELA Q04206 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4338293 0.93 THRB (0.48) MAPTSMN1; SMN2RARBTHRBNPC1
SCHEMBL13785245 0.92 MAPT (0.57) MAPTSMN1; SMN2THRBNPC1LMNA
SCHEMBL16425791 0.90 MAPT (0.53) MAPTSMN1; SMN2RARBTHRBNPC1
SCHEMBL24764454 0.89 NPC1 (0.49) MAPTSMN1; SMN2NPC1LMNANFKB1
SCHEMBL14500157 0.89 NPC1 (0.49) MAPTSMN1; SMN2NPC1LMNANFKB1
SCHEMBL3192599 0.89 NPC1 (0.49) MAPTSMN1; SMN2NPC1LMNANFKB1
SCHEMBL13768006 0.88 NPC1 (0.47) MAPTSMN1; SMN2NPC1LMNANFKB1
SCHEMBL14302567 0.87 PTPN11 (0.48) MAPTSMN1; SMN2RARBNPC1LMNA
SCHEMBL497301 0.87 MAPT (0.47) MAPTSMN1; SMN2THRBNPC1LMNA
SCHEMBL7073546 0.87 THRB (0.46) MAPTSMN1; SMN2RARBTHRBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369783-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC OBJECT SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2017-12-28 — — US disclosed
EP-1169293-B1 LIQUID CRYSTAL COMPOUNDS ROLIC AG (CH) 2009-07-22 — — EP disclosed
EP-1169293-B1 LIQUID CRYSTAL COMPOUNDS ROLIC AG (CH) 2009-07-22 — — EP disclosed
US-6733690-B1 ACRYLIC ESTER POLYMERS ROLIC AG (CH) 2004-05-11 — — 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-20170369783-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC OBJECT VIM, SMCHD1, SMC4 MAPT 18/4885SMN1; SMN2 2562/4885RARB 3770/4885

“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.

Send feedback