SCHEMBL778221

SCHEMBL778221

CCCCc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CCCC)cc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.58
MAPT P10636 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
RARB P10826 1/20 0.56
PLK1 P53350 1/20 0.56
THRA P10827 2/20 0.55
NPC1 O15118 2/20 0.54
LMNA P02545 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
PRSS1 P07477 1/20 0.54
ACR P10323 1/20 0.54
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP4A11 Q02928 2/20 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
SCHEMBL5665942 1.00 THRB (0.58) THRBMAPTSMN1; SMN2RARBPLK1
SCHEMBL7951967 1.00 THRB (0.58) THRBMAPTSMN1; SMN2RARBPLK1
SCHEMBL7210214 1.00 THRB (0.58) THRBMAPTSMN1; SMN2RARBPLK1
SCHEMBL5665862 0.97 THRB (0.63) THRBMAPTSMN1; SMN2RARBPLK1
SCHEMBL11699664 0.97 MAPT (0.55) THRBMAPTSMN1; SMN2RARBPLK1
SCHEMBL5666123 0.97 THRB (0.63) THRBMAPTSMN1; SMN2RARBPLK1
SCHEMBL11695074 0.97 MAPT (0.55) THRBMAPTSMN1; SMN2RARBPLK1
SCHEMBL9511143 0.95 THRB (0.62) THRBMAPTSMN1; SMN2RARBTHRA
SCHEMBL11547222 0.95 RARB (0.64) THRBMAPTSMN1; SMN2RARBPLK1
SCHEMBL11584932 0.95 MAPT (0.54) THRBMAPTSMN1; SMN2RARBPLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071618-A1 LIQUID CRYSTAL COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-22 US disclosed
US-8067068-B2 Liquid crystal compositions E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-29 US disclosed
US-20100308265-A1 LIQUID CRYSTAL COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-09 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 (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-20100308265-A1 LIQUID CRYSTAL COMPOSITIONS CNOT9, AQP3, AQP1 THRB 4866/4885MAPT 23/4885SMN1; SMN2 4591/4885
US-20120071618-A1 LIQUID CRYSTAL COMPOSITIONS CNOT9, AQP3, AQP1 THRB 4866/4885MAPT 23/4885SMN1; SMN2 4591/4885

“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.