SCHEMBL17488407

SCHEMBL17488407

Cc1ccc(-c2ccc(C(=O)OCCOCc3ccccc3)cc2C(=O)OCCOCc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 4/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTR7 P34969 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
DHODH Q02127 3/20 0.42
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
THRB P10828 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 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
SCHEMBL20033186 0.88 GSTP1 (0.49) ALDH1A1LMNANPC1RAB9AMAPT
SCHEMBL17488409 0.87 CYP11B1 (0.47) ALDH1A1LMNANPC1RAB9AMAPT
SCHEMBL18621853 0.82 ESR1 (0.49) ALDH1A1LMNANPC1RAB9AMAPT
SCHEMBL16351942 0.82 L3MBTL1 (0.46) LMNANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL28211516 0.82 MAPT (0.54) ALDH1A1LMNANPC1RAB9AMAPT
SCHEMBL16351979 0.80 ESR1 (0.51) ALDH1A1LMNANPC1RAB9AMAPT
SCHEMBL16351973 0.79 MCL1 (0.51) ALDH1A1DHODHTDP1CYP3A4TSHR
SCHEMBL16351980 0.79 NPC1 (0.47) LMNANPC1RAB9AMAPTESR1
SCHEMBL27999806 0.79 ESR1 (0.56) ALDH1A1LMNANPC1RAB9AMAPT
SCHEMBL17488410 0.79 ALDH1A1 (0.39) ALDH1A1LMNANPC1RAB9AMAPT

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 2 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
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 ALDH1A1 4572/4885LMNA 149/4885NPC1 3297/4885

“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.