SCHEMBL10331069

SCHEMBL10331069

CCCCc1ccc(N(c2ccc(-c3ccc(COCC4(CC)COC4)cc3)cc2)c2ccc(-c3ccc(COCC4(CC)COC4)cc3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.35
NISCH Q9Y2I1 1/20 0.35
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HSD17B10 Q99714 2/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
RARA P10276 1/20 0.32
MAPT P10636 1/20 0.32
MTOR P42345 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
HSD11B1 P28845 1/20 0.31
CHRM1 P11229 2/20 0.31
ESR1 P03372 2/20 0.31
ADRA2A P08913 2/20 0.31

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
SCHEMBL10071625 0.97 RARB (0.33) RARBNISCHKCNH2HRH3CA1
SCHEMBL10071630 0.91 TSHR (0.33) TSHR
SCHEMBL20180997 0.87 CYP3A4 (0.33) RARBHRH3ALDH1A1MEN1RARA
SCHEMBL13581284 0.87 MEN1 (0.31) ALDH1A1MEN1KMT2ALMNACYP3A4
SCHEMBL13581289 0.86 NAAA (0.34) KCNH2TSHR
SCHEMBL13581278 0.86 NAAA (0.34) KCNH2TSHR
SCHEMBL13028015 0.86 FAAH (0.34) TSHRMEN1KMT2A
SCHEMBL13028076 0.86 FAAH (0.34) TSHRMEN1KMT2A
SCHEMBL13028057 0.86 FAAH (0.34) TSHRMEN1KMT2A
SCHEMBL13581283 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9583714-B2 Material for organic electronics, organic electronic element, organic electroluminescent element, display element using organic electroluminescent element, illuminating device, and display device HITACHI CHEMICAL COMPANY, LTD. (JP) 2017-02-28 US disclosed
US-8632892-B2 Organic electronic material, organic electronic device, and organic electroluminescent device HITACHI CHEMICAL CO., LTD. (JP) 2014-01-21 US disclosed
US-20120181530-A1 MATERIAL FOR ORGANIC ELECTRONICS, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY ELEMENT USING ORGANIC ELECTROLUMINESCENT ELEMENT, ILLUMINATING DEVICE, AND DISPLAY DEVICE RESONAC CORPORATION (JP) 2012-07-19 US disclosed
US-20090321723-A1 ORGANIC ELECTRONIC MATERIAL, ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTROLUMINESCENT DEVICE HITACHI CHEMICAL COMPANY, LTD. (JP) 2009-12-31 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-20090321723-A1 ORGANIC ELECTRONIC MATERIAL, ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTROLUMINESCENT DEVICE SLCO4C1, SLCO1A2, SLCO2A1 RARB 3404/4885NISCH 2210/4885KCNH2 559/4885

“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.