SCHEMBL10429856

SCHEMBL10429856

CCN(CC)C(C)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43
PGR P06401 1/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
KCNH2 Q12809 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
LMNA P02545 2/20 0.39
MAOA P21397 2/20 0.39
ADRA2C P18825 1/20 0.39
MAOB P27338 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
LTB4R Q15722 3/20 0.38
LTB4R2 Q9NPC1 3/20 0.38
BCHE P06276 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SLC6A4 P31645 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
Hydrochloric Acid SCHEMBL15412521 0.98 ADRA2A (0.42) ADRA2AADRA2BPGRHTR2AHRH1
SCHEMBL9706129 0.89 ALDH1A3 (0.39) ADRA2AADRA2BPGRHTR2AHRH1
SCHEMBL11682289 0.87 BCHE (0.49) ADRA2AADRA2BHTR2AHRH1KCNH2
SCHEMBL9706148 0.86 KDM4E (0.39) ADRA2AADRA2BPGRHTR2AHRH1
SCHEMBL5529419 0.86 LTA4H (0.50) L3MBTL1LMNABCHELTA4HHTT
Hydrochloric Acid SCHEMBL7123972 0.84 LTA4H (0.49) L3MBTL1LMNABCHELTA4HHTT
SCHEMBL12610940 0.84 CYP2D6 (0.56) ADRA2AADRA2BPGRHTR2AKCNH2
Benzofuran SCHEMBL5035533 0.82 KCNA3 (0.33) ADRA2AADRA2BPGRHTR2AHRH1
SCHEMBL3327499 0.82 ALDH1A3 (0.34) ADRA2AADRA2BPGRHTR2AHRH1
SCHEMBL9706157 0.81 ADRA2A (0.40) ADRA2AADRA2BPGRHTR2AHRH1

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
JP-2164801-A None JP disclosed
US-8962869-B2 Process for synthesizing keto benzofuran derivatives SANOFI (FR) 2015-02-24 US disclosed
US-20140046078-A1 PROCESS FOR SYNTHESIZING KETO BENZOFURAN DERIVATIVES SANOFI (FR) 2014-02-13 US disclosed
EP-2688879-A1 METHOD FOR SYNTHESIZING KETOBENZOFURAN DERIVATIVES SANOFI (FR) 2014-01-29 EP disclosed
US-20140018553-A1 PROCESS FOR SYNTHESIZING KETO-BENZOFURAN DERIVATIVES SANOFI (FR) 2014-01-16 US disclosed
WO-2012127174-A1 METHOD FOR SYNTHESIZING KETOBENZOFURAN DERIVATIVES SANOFI (FR) 2012-09-27 WO disclosed
JP-H02164801-A PLANT DYE-INCREASING AGENT NITTO BAION KK 1990-06-25 JP 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 (2 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-20140046078-A1 PROCESS FOR SYNTHESIZING KETO BENZOFURAN DERIVATIVES CYP3A4, CYP2F1, DHPS ADRA2A 2944/4885ADRA2B 2714/4885PGR 3651/4885
US-20140018553-A1 PROCESS FOR SYNTHESIZING KETO-BENZOFURAN DERIVATIVES CYP2F1, CYP3A4, CYP2B6 ADRA2A 2249/4885ADRA2B 1891/4885PGR 3303/4885

“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.