SCHEMBL16615529

SCHEMBL16615529

N#Cc1ccc(-c2ccc(-c3cc(O)ccc3F)cc2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.49
ESR2 Q92731 6/20 0.49
MMP3 P08254 1/20 0.49
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA6 P23280 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
AR P10275 4/20 0.43
KIF11 P52732 1/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
APP P05067 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHEK1 O14757 1/20 0.40
WEE1 P30291 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
SCHEMBL83335 0.89 MMP3 (0.57) ESR1ESR2MMP3PDE3BPDE3A
SCHEMBL15834317 0.86 MMP3 (0.63) ESR1ESR2MMP3PDE3BPDE3A
SCHEMBL16582522 0.82 ESR1 (0.50) ESR1ESR2MMP3CA12CA2
SCHEMBL28165919 0.82 MMP3 (0.57) ESR1ESR2MMP3PDE3BPDE3A
SCHEMBL397141 0.80 KIF11 (0.61) MMP3PDE3BPDE3ACA12CA2
SCHEMBL19579048 0.78 KIF11 (0.52) MMP3PDE3BPDE3ACA12CA2
SCHEMBL6068004 0.77 MMP3 (0.63) ESR2MMP3CA12CA2CA3
SCHEMBL27806612 0.77 KIF11 (0.51) MMP3PDE3BPDE3ACA12CA2
SCHEMBL19579265 0.76 KIF11 (0.50) MMP3PDE3BPDE3ACA12CA2
SCHEMBL2649287 0.76 KIF11 (0.44) MMP3PDE3BPDE3ACA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10711196-B2 Bimesogenic compounds and mesogenic media MERCK PATENT GMBH (DE) 2020-07-14 US disclosed
US-10343982-B2 Compounds and mesogenic media MERCK PATENT GMBH (DE) 2019-07-09 US disclosed
EP-3049506-B1 COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-06-14 EP disclosed
EP-2928985-B1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-12-21 EP disclosed
US-20160229795-A1 COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-08-11 US disclosed
US-20160229795-A1 COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-08-11 US disclosed
US-20150315470-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-11-05 US disclosed
US-20150315470-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-11-05 US disclosed
WO-2015043713-A1 COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-04-02 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 (4 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-20160229795-A1 COMPOUNDS AND MESOGENIC MEDIA MTX1, NEFM, MTX2 ESR1 4650/4885ESR2 3561/4885MMP3 256/4885
US-10343982-B2 Compounds and mesogenic media MTX1, NEFM, MTX2 ESR1 4650/4885ESR2 3561/4885MMP3 256/4885
US-20150315470-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 ESR1 2231/4885ESR2 1738/4885MMP3 288/4885
US-10711196-B2 Bimesogenic compounds and mesogenic media BMP2, NEFM, MTX1 ESR1 4491/4885ESR2 3633/4885MMP3 218/4885

“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.