SCHEMBL783976

SCHEMBL783976

Brc1ccc2c(c1)CCc1cc(I)ccc1-2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.53
SRD5A2 P31213 1/20 0.53
PARP10 Q53GL7 1/20 0.46
PARP11 Q9NR21 1/20 0.46
CYP19A1 P11511 6/20 0.44
CYP11B1 P15538 6/20 0.44
CYP11B2 P19099 6/20 0.44
METAP1 P53582 1/20 0.39
TYMS P04818 1/20 0.39
TDP2 O95551 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PNMT P11086 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ASIC3 Q9UHC3 1/20 0.37
S100A4 P26447 1/20 0.35

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
SCHEMBL2137121 0.88 METAP1 (0.47) SRD5A1SRD5A2PARP10PARP11CYP19A1
SCHEMBL31268305 0.87 SRD5A1 (0.64) SRD5A1SRD5A2PARP10PARP11CYP19A1
SCHEMBL204100 0.87 SRD5A1 (0.64) SRD5A1SRD5A2PARP10PARP11CYP19A1
SCHEMBL783721 0.87 TDP2 (0.45) SRD5A1SRD5A2TYMSTDP2PNMT
SCHEMBL4817935 0.82 SRD5A1 (0.60) SRD5A1SRD5A2PARP10PARP11CYP19A1
SCHEMBL25451050 0.81 SRD5A1 (0.41) SRD5A1SRD5A2PARP10PARP11CYP19A1
SCHEMBL784002 0.77 SRD5A1 (0.52) SRD5A1SRD5A2TDP2TDP1L3MBTL1
SCHEMBL13851825 0.77 TDP1 (0.61) SRD5A1SRD5A2PARP10PARP11CYP19A1
Dioxane SCHEMBL28109102 0.77 SRD5A1 (0.55) SRD5A1SRD5A2PARP10PARP11CYP19A1
SCHEMBL20797150 0.76 SRD5A1 (0.57) SRD5A1SRD5A2PARP10PARP11CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096795-B2 Liquid crystal display MERCK PATENT GMBH (DE) 2015-08-04 US disclosed
US-9096795-B2 Liquid crystal display MERCK PATENT GMBH (DE) 2015-08-04 US disclosed
US-9096795-B2 Liquid crystal display MERCK PATENT GMBH (DE) 2015-08-04 US disclosed
EP-2432851-B1 LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2013-10-02 EP disclosed
EP-2432851-A1 LIQUID CRYSTAL DISPLAY Merck Patent GmbH (DE) 2012-03-28 EP disclosed
US-20120069289-A1 LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-22 US disclosed
US-20120069289-A1 LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-22 US disclosed
US-20120069289-A1 LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-22 US disclosed
WO-2010133278-A1 LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2010-11-25 WO disclosed
WO-2010133278-A1 LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2010-11-25 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 (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-20120069289-A1 LIQUID CRYSTAL DISPLAY LPXN, VCL, ACP3 SRD5A1 830/4885SRD5A2 838/4885PARP10 2238/4885

“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.