SCHEMBL16615488

SCHEMBL16615488

Cc1cc(-c2ccc(OC=O)cc2)ccc1-c1ccc(C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
MMP3 P08254 8/20 0.40
STS P08842 1/20 0.39
TP53 P04637 1/20 0.39
KDM1A O60341 1/20 0.39
PTGER4 P35408 1/20 0.38
MDM2 Q00987 1/20 0.36
MMP1 P03956 2/20 0.35
CYP11B2 P19099 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL16615592 0.92 HRH2 (0.42) MMP2HRH2HRH1MMP3STS
SCHEMBL12841314 0.83 MMP2 (0.51) MMP2HRH2HRH1MMP3MMP1
SCHEMBL17974605 0.83 KIF11 (0.46) MMP2MMP3STSKDM1AMDM2
SCHEMBL16945885 0.80 ACLY (0.40) MMP2MMP3TP53MAPT
SCHEMBL15810279 0.80 TP53 (0.48) MMP2HRH2HRH1MMP3TP53
SCHEMBL18133204 0.79 DRD1 (0.33)
SCHEMBL29306055 0.79 ALDH1A1 (0.57) MMP3KDM1ACYP11B2
SCHEMBL195649 0.78 CA2 (0.48) MMP2MMP3MMP1MMP9MMP13
SCHEMBL16941065 0.77 TP53 (0.46) MMP2HRH2HRH1MMP3TP53
SCHEMBL15583841 0.77 PDE3B (0.43) MMP2MMP3STSKDM1AMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3049506-B1 COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-06-14 EP 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
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 (3 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 MMP2 185/4885HRH2 3986/4885HRH1 3664/4885
US-20150210921-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 MMP2 1154/4885HRH2 3001/4885HRH1 2126/4885
US-20150315470-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 MMP2 1154/4885HRH2 3001/4885HRH1 2126/4885

“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.