SCHEMBL15810332

SCHEMBL15810332

N#Cc1ccc(-c2ccc(OCCCCCCCCCOc3cccc(-c4ccc(C#N)cc4)c3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.55
▸ HDAC2 Q92769 2/20 0.55
▸ MMP3 P08254 3/20 0.52
▸ CYP11B1 P15538 1/20 0.52
▸ CYP11B2 P19099 1/20 0.52
▸ HRH3 Q9Y5N1 8/20 0.51
▸ HRH2 P25021 5/20 0.51
▸ HRH1 P35367 5/20 0.51
▸ MMP2 P08253 3/20 0.51
▸ SLC6A2 P23975 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ FFAR1 O14842 1/20 0.48
▸ FFAR4 Q5NUL3 1/20 0.48
▸ MMP1 P03956 1/20 0.48

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
SCHEMBL17231860 0.95 CYP11B1 (0.53) HDAC1HDAC2MMP3CYP11B1CYP11B2
SCHEMBL20275451 0.87 HDAC1 (0.51) HDAC1HDAC2MMP3CYP11B1CYP11B2
SCHEMBL18079151 0.87 HDAC1 (0.67) HDAC1HDAC2MMP3HRH3HRH2
SCHEMBL29444063 0.87 HDAC1 (0.67) HDAC1HDAC2MMP3HRH3HRH2
SCHEMBL16841044 0.87 HDAC1 (0.67) HDAC1HDAC2MMP3HRH3HRH2
SCHEMBL26602050 0.85 MMP3 (0.66) HDAC1HDAC2MMP3HRH3HRH2
SCHEMBL16615579 0.85 TSHR (0.49) HDAC1HDAC2MMP3CYP11B1CYP11B2
SCHEMBL7048536 0.82 MMP3 (0.79) HDAC1HDAC2MMP3MMP2MMP1
SCHEMBL1777722 0.81 KCNA3 (0.64) HDAC1HDAC2MMP3HRH3HRH2
SCHEMBL5526919 0.81 HRH3 (0.66) HDAC1HDAC2MMP3HRH3HRH2

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-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
WO-2014090372-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2014-06-19 — — 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 HDAC1 4134/4885HDAC2 4827/4885MMP3 256/4885
US-10343982-B2 Compounds and mesogenic media MTX1, NEFM, MTX2 HDAC1 4134/4885HDAC2 4827/4885MMP3 256/4885
US-20150315470-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 HDAC1 2242/4885HDAC2 3725/4885MMP3 288/4885
US-10711196-B2 Bimesogenic compounds and mesogenic media BMP2, NEFM, MTX1 HDAC1 4587/4885HDAC2 4840/4885MMP3 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.

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