SCHEMBL17488408

SCHEMBL17488408

O=C(OCCOCc1ccccc1)c1ccc(Br)c(OCCOCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
LMNA P02545 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR7 P34969 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
SMPD1 P17405 1/20 0.40
HDAC1 Q13547 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
SCHEMBL18441971 0.85 ESR1 (0.47) ESR1ESR2LMNASLC6A2SLC6A3
SCHEMBL17488406 0.85 ESR1 (0.49) ESR1ESR2LMNASLC6A2SLC6A3
SCHEMBL20482380 0.83 KMT2A (0.57) LMNASLC6A2SLC6A3KMT2ATDP1
SCHEMBL17488411 0.81 ALDH1A1 (0.40) ESR1ESR2LMNANPC1RAB9A
SCHEMBL27926522 0.80 TDP1 (0.59) ESR1ESR2LMNASLC6A2SLC6A3
SCHEMBL30844598 0.80 SMN1; SMN2 (0.51) NPC1RAB9AMAPTSMN1; SMN2SMPD1
SCHEMBL2394250 0.80 SMN1; SMN2 (0.51) NPC1RAB9AMAPTSMN1; SMN2SMPD1
SCHEMBL17955287 0.79 L3MBTL1 (0.58) ESR1ESR2LMNASLC6A2SLC6A3
SCHEMBL20033180 0.79 GSTP1 (0.48) LMNANPC1RAB9AALDH1A1MAPT
SCHEMBL17488409 0.79 CYP11B1 (0.47) ESR1ESR2LMNATDP1NPC1

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-9938229-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2018-04-10 US disclosed
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

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 2744/4885ESR2 4146/4885LMNA 149/4885

“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.