SCHEMBL16615592

SCHEMBL16615592

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
STS P08842 1/20 0.41
KDM1A O60341 1/20 0.40
MMP2 P08253 4/20 0.39
MAPT P10636 1/20 0.39
MMP3 P08254 2/20 0.39
TP53 P04637 2/20 0.38
MDM2 Q00987 1/20 0.37
CYP11B2 P19099 2/20 0.37
PTGER4 P35408 1/20 0.36
STAT3 P40763 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
SLC22A12 Q96S37 2/20 0.36
CYP11B1 P15538 1/20 0.36

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
SCHEMBL16615488 0.92 MMP2 (0.40) HRH2HRH1STSKDM1AMMP2
SCHEMBL15583841 0.82 PDE3B (0.43) STSKDM1AMMP2MAPTMMP3
SCHEMBL15823025 0.81 CYP1A1 (0.51) HRH2HRH1STSKDM1AMAPT
SCHEMBL15588886 0.80 PDE3B (0.44) STSKDM1AMMP2MAPTMMP3
SCHEMBL12841314 0.79 MMP2 (0.51) HRH2HRH1MMP2MMP3
SCHEMBL16941030 0.79 KDM1A (0.50) HRH2HRH1STSKDM1AMMP2
SCHEMBL16946006 0.78 HRH2 (0.46) HRH2HRH1MMP2MAPTMMP3
SCHEMBL17974605 0.77 KIF11 (0.46) STSKDM1AMMP2MAPTMMP3
SCHEMBL7634772 0.77 ALDH1A1 (0.48) HRH2HRH1MMP3CYP11B2CYP11B1
SCHEMBL14531566 0.77 ALDH1A1 (0.41) HRH2HRH1MAPTCYP11B2

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
US-9644144-B2 Bimesogenic compounds and mesogenic media MERCK PATENT GMBH (DE) 2017-05-09 US disclosed
EP-2890762-B1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-10-12 EP 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 HRH2 3986/4885HRH1 3664/4885STS 2277/4885
US-20150210921-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 HRH2 3001/4885HRH1 2126/4885STS 2719/4885
US-20150315470-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 HRH2 3001/4885HRH1 2126/4885STS 2719/4885

“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.