SCHEMBL16922706

SCHEMBL16922706

Cc1cc(-c2ccc(C#N)cc2)ccc1Cc1ccc(-c2ccc(C#N)cc2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.44
MMP3 P08254 1/20 0.44
CYP2A6 P11509 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HRH3 Q9Y5N1 5/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGER4 P35408 1/20 0.39
CYP11B2 P19099 1/20 0.38
PGR P06401 1/20 0.38
CHEK1 O14757 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL13699919 0.87 CYP2A6 (0.47) KIF11MMP3CYP2A6ALDH1A1HRH3
SCHEMBL3997043 0.86 MMP3 (0.46) KIF11MMP3CYP2A6ALDH1A1HRH3
SCHEMBL16941052 0.85 KIF11 (0.43) KIF11CYP11B2
SCHEMBL16941078 0.84 TSHR (0.53) KIF11MMP3CYP2A6ALDH1A1HRH3
SCHEMBL13764459 0.84 TSHR (0.49) KIF11MMP3CYP2A6ALDH1A1HRH3
SCHEMBL2153680 0.84 CYP2A6 (0.44) CYP2A6ALDH1A1LOXL2CYP11B2
SCHEMBL10304732 0.80 KIF11 (0.50) KIF11MMP3CYP2A6ALDH1A1HRH3
SCHEMBL19993383 0.78 MMP3 (0.48) KIF11MMP3CYP2A6HRH3LOXL2
SCHEMBL14139943 0.77 KIF11 (0.47) KIF11MMP3CYP2A6ALDH1A1TSHR
SCHEMBL21899532 0.77 KIF11 (0.47) KIF11MMP3CYP2A6ALDH1A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512920-B1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
EP-3218446-B1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2018-07-04 EP disclosed
EP-2870218-B1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2018-05-02 EP disclosed
WO-2018050573-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE MERCK PATENT GMBH (DE) 2018-03-22 WO disclosed
US-9914876-B2 Bimesogenic compounds and mesogenic media MERCK PATENT GMBH (DE) 2018-03-13 US disclosed
US-20180022996-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
WO-2017194665-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-11-16 WO disclosed
EP-2855627-B1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-09-20 EP disclosed
WO-2017092848-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE MERCK PATENT GMBH (DE) 2017-06-08 WO disclosed
US-9644144-B2 Bimesogenic compounds and mesogenic media MERCK PATENT GMBH (DE) 2017-05-09 US disclosed
US-20160229795-A1 COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-08-11 US disclosed
US-20160222293-A1 MESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-08-04 US disclosed
US-20150315470-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-11-05 US disclosed
US-20150210921-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-07-30 US disclosed
US-20150203755-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-07-23 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 (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 KIF11 512/4885MMP3 256/4885CYP2A6 2493/4885
US-20150210921-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 KIF11 30/4885MMP3 288/4885CYP2A6 3428/4885
US-20150315470-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 KIF11 30/4885MMP3 288/4885CYP2A6 3428/4885
US-20150203755-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 KIF11 30/4885MMP3 288/4885CYP2A6 3428/4885

“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.