SCHEMBL431397

SCHEMBL431397

COC(=O)c1ccc(OCCCCCCCCO)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.74
RAB9A P51151 2/20 0.66
CYP4A11 Q02928 2/20 0.61
CYP4F2 P78329 1/20 0.61
GAA P10253 1/20 0.59
POLB P06746 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
NPC1 O15118 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PLA2G4B P0C869 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL225009 1.00 MAPT (0.74) MAPTRAB9ACYP4A11CYP4F2GAA
SCHEMBL8962930 1.00 MAPT (0.74) MAPTRAB9ACYP4A11CYP4F2GAA
SCHEMBL1791955 1.00 MAPT (0.74) MAPTRAB9ACYP4A11CYP4F2GAA
SCHEMBL6018398 0.98 MAPT (0.77) MAPTRAB9ACYP4A11CYP4F2GAA
SCHEMBL7332647 0.95 MAPT (0.68) MAPTRAB9ACYP4A11CYP4F2GAA
SCHEMBL13721594 0.95 MAPT (0.68) MAPTRAB9ACYP4A11CYP4F2GAA
SCHEMBL20032702 0.94 MAPT (0.70) MAPTRAB9ACYP4A11CYP4F2GAA
SCHEMBL223429 0.93 MAPT (0.79) MAPTRAB9ACYP4A11CYP4F2GAA
SCHEMBL5054312 0.93 MAPT (0.85) MAPTRAB9AGAAL3MBTL1TDP1
SCHEMBL7908139 0.93 MAPT (0.64) MAPTRAB9ACYP4A11CYP4F2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113548964-A Synthetic method of liquid crystal intermediate 西安淳甄新材料有限公司 2021-10-26 CN claimed
CN-113548964-A Synthetic method of liquid crystal intermediate 西安淳甄新材料有限公司 2021-10-26 CN disclosed
EP-2222740-B1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2017-10-11 EP disclosed
EP-2222740-B1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2017-10-11 EP disclosed
US-9499649-B2 Functionalized photoreactive compounds ROLIC AG (CH) 2016-11-22 US disclosed
US-9499649-B2 Functionalized photoreactive compounds ROLIC AG (CH) 2016-11-22 US disclosed
US-9499649-B2 Functionalized photoreactive compounds ROLIC AG (CH) 2016-11-22 US disclosed
US-8613868-B2 Mesogenic stabilizers TRANSITIONS OPTICAL, INC (US) 2013-12-24 US disclosed
WO-2013022610-A1 MESOGENIC STABILIZERS TRANSITIONS OPTICAL, INC. (US) 2013-02-14 WO disclosed
US-20120021144-A1 MESOGENIC STABILIZERS TRANSITIONS OPTICAL, INC. (US) 2012-01-26 US disclosed
US-20100266821-A1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2010-10-21 US disclosed
US-20100266821-A1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2010-10-21 US disclosed
US-20100266821-A1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2010-10-21 US disclosed
EP-2222740-A1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS Rolic AG (CH) 2010-09-01 EP disclosed
WO-2009080147-A1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2009-07-02 WO disclosed
WO-2009080147-A1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2009-07-02 WO 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 (2 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-20120021144-A1 MESOGENIC STABILIZERS C1S, C5, CCNL2 MAPT 1278/4885RAB9A 3799/4885CYP4A11 2620/4885
US-20100266821-A1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS ETV6, TERB1, VCL MAPT 42/4885RAB9A 1297/4885CYP4A11 2752/4885

“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.