SCHEMBL17485683

SCHEMBL17485683

CCCCOCCOC(=O)c1ccc(Br)c(C(=O)OCCOCCCC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.59
TSHR P16473 5/20 0.49
MAPK1 P28482 3/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
NR1H2 P55055 1/20 0.49
RNASEL Q05823 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP3A4 P08684 3/20 0.48
CYP2C9 P11712 1/20 0.48
PDE4D Q08499 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ABCB11 O95342 1/20 0.47
ADRA2B P18089 1/20 0.47
OPRD1 P41143 1/20 0.47
SCN5A Q14524 1/20 0.47
ALDH1A1 P00352 2/20 0.45

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
SCHEMBL941692 0.87 TSHR (0.58) ESR1TSHRMAPK1LMNACYP1A2
SCHEMBL17485635 0.84 ESR1 (0.56) ESR1TSHRMAPK1LMNACYP1A2
SCHEMBL9840621 0.82 ESR1 (0.69) ESR1TSHRMAPK1LMNACYP1A2
SCHEMBL17797863 0.82 ESR1 (0.69) ESR1TSHRMAPK1LMNACYP1A2
SCHEMBL16278866 0.82 ESR1 (0.69) ESR1TSHRMAPK1LMNACYP1A2
SCHEMBL22832633 0.81 ESR1 (0.72) ESR1TSHRMAPK1LMNACYP1A2
SCHEMBL9270356 0.81 TSHR (0.54) ESR1TSHRMAPK1LMNACYP1A2
SCHEMBL7591327 0.80 ESR1 (0.74) ESR1TSHRMAPK1LMNACYP1A2
SCHEMBL17798305 0.80 L3MBTL1 (0.54) ESR1TSHRMAPK1LMNACYP1A2
SCHEMBL809488 0.80 L3MBTL1 (0.54) ESR1TSHRMAPK1LMNACYP1A2

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
EP-3124465-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS Merck Patent GmbH (DE) 2017-02-01 EP disclosed
US-20160032189-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2016-02-04 US disclosed
EP-2980062-A2 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS Merck Patent GmbH (DE) 2016-02-03 EP 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-20160032189-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, ILK, LCP1 ESR1 2744/4885TSHR 4856/4885MAPK1 492/4885

“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.