SCHEMBL679086

SCHEMBL679086

CCC(C)COc1cc2c(cc1OCC(C)CC)C1(c3cc(/C=C/c4ccc(Br)cc4)ccc3-c3ccc(/C=C/c4ccc(Br)cc4)cc31)c1cc(OCC(C)CC)c(OCC(C)CC)cc1-2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34
CHRNA7 P36544 2/20 0.33
IGF1R P08069 1/20 0.32
TLR8 Q9NR97 1/20 0.32
PDK2 Q15119 1/20 0.30
HDAC3 O15379 1/20 0.30

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
SCHEMBL12522293 0.95 TUBB4A (0.31) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14441624 0.94 KMT2A (0.33) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13161611 0.93 AKR1C3 (0.31) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14306944 0.90 NFE2L2 (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13198868 0.87 TLR8 (0.36) IGF1RTLR8
SCHEMBL680229 0.87 TLR8 (0.36) IGF1RTLR8
SCHEMBL18062069 0.87 PDE4B (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17849115 0.87 PDK2 (0.36) TUBB1CHRNA7IGF1RTLR8PDK2
SCHEMBL19007776 0.83 IGF1R (0.31) IGF1RPDK2
SCHEMBL11957248 0.81 TLR8 (0.33) TLR8

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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794218-B1 ELECTRONIC DEVICES CONTAINING ORGANIC SEMI-CONDUCTORS MERCK PATENT GMBH (DE) 2020-05-13 EP disclosed
US-20170062725-A1 COMPOSITION AND METHOD FOR PREPARATION OF ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-03-02 US disclosed
US-20170062725-A1 COMPOSITION AND METHOD FOR PREPARATION OF ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-03-02 US disclosed
EP-2273512-B1 Conjugated polymers comprising triarylamine-arylenevinylene units, synthesis and use of the same MERCK PATENT GMBH (DE) 2016-07-20 EP disclosed
US-9150687-B2 Electronic devices containing organic semi-conductors MERCK PATENT GMBH (DE) 2015-10-06 US disclosed
US-9150687-B2 Electronic devices containing organic semi-conductors MERCK PATENT GMBH (DE) 2015-10-06 US disclosed
US-8679644-B2 Electroluminescent polymers containing planar arylamine units, the preparation and use thereof MERCK PATENT GMBH (DE) 2014-03-25 US disclosed
US-8679644-B2 Electroluminescent polymers containing planar arylamine units, the preparation and use thereof MERCK PATENT GMBH (DE) 2014-03-25 US disclosed
US-20130026421-A1 COMPOSITION AND METHOD FOR PREPARATION OF ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2013-01-31 US disclosed
US-20130026421-A1 COMPOSITION AND METHOD FOR PREPARATION OF ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2013-01-31 US disclosed
US-20070265473-A1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND THE USE THEREOF COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2007-11-15 US disclosed
US-7288617-B2 Conjugated polymers containing spirobifluorene units and fluorene units, and the use thereof MERCK PATENT GMBH (DE) 2007-10-30 US disclosed
US-7288617-B2 Conjugated polymers containing spirobifluorene units and fluorene units, and the use thereof MERCK PATENT GMBH (DE) 2007-10-30 US disclosed
US-20070205714-A1 Electroluminescent Polymers and the Use Thereof MERCK PATENT GMBH (DE) 2007-09-06 US disclosed
US-20070205714-A1 Electroluminescent Polymers and the Use Thereof MERCK PATENT GMBH (DE) 2007-09-06 US disclosed
WO-2007068325-A1 TRIARYLAMINE-ARYLVINYLENE MOIETY-CONTAINING CONJUGATED POLYMERS, THEIR PRODUCTION AND USE MERCK PATENT GMBH (DE) 2007-06-21 WO disclosed
US-20070123690-A1 Conjugated polymers, representation thereof, and use of the same MERCK PATENT GMBH (DE) 2007-05-31 US disclosed
US-20070123690-A1 Conjugated polymers, representation thereof, and use of the same MERCK PATENT GMBH (DE) 2007-05-31 US disclosed
US-20070034862-A1 Electronic device comprising an organic semiconductor, an organic semiconductor, and an intermediate buffer layer made of a polymer that is cationically polymerizable and contains no photoacid COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2007-02-15 US disclosed
US-20070034862-A1 Electronic device comprising an organic semiconductor, an organic semiconductor, and an intermediate buffer layer made of a polymer that is cationically polymerizable and contains no photoacid COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2007-02-15 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 (1 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-20070265473-A1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND THE USE THEREOF ALDH1A2, SELE, PPOX TUBB4A 63/4885TUBB 42/4885TUBA3C 49/4885

“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.