SCHEMBL2969685

SCHEMBL2969685

COc1ccc(NC2=CC(=O)CC2)cc1OCCC1Cc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
PDE4B Q07343 2/20 0.43
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37
HIF1A Q16665 1/20 0.36
C5AR1 P21730 1/20 0.36
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
NPC1 O15118 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
STK10 O94804 1/20 0.35
SLK Q9H2G2 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL2976136 0.82 LMNA (0.46) TSHRPDE4BKMT2AMEN1HIF1A
SCHEMBL2972125 0.81 TSHR (0.53) TSHRPDE4BKMT2AALDH1A1TAAR1
SCHEMBL2981396 0.81 LMNA (0.40) TSHRPDE4BKMT2AMEN1HIF1A
SCHEMBL2976229 0.80 SIGMAR1 (0.49) TSHRC5AR1NPC1
SCHEMBL2981354 0.79 TSHR (0.53) TSHRPDE4BKMT2AMEN1PDE4A
SCHEMBL2981348 0.78 TSHR (0.52) TSHRPDE4BKMT2AMEN1PDE4A
SCHEMBL2973867 0.77 TSHR (0.50) TSHRPDE4BKMT2AMEN1C5AR1
SCHEMBL2981332 0.77 TSHR (0.50) TSHRPDE4BKMT2AMEN1C5AR1
SCHEMBL2979737 0.76 TSHR (0.50) TSHRPDE4BKMT2AMEN1PDE4A
SCHEMBL2978223 0.75 TSHR (0.44) TSHRGAA

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-7772258-B2 Agent for treatment of allergic eye disease NIKKEN CHEMICALS CO., LTD. (JP) 2010-08-10 US disclosed
US-20080306163-A1 AGENT FOR TREATMENT OF ALLERGIC EYE DISEASE NIKKEN CHEMICALS CO., LTD. 2008-12-11 US disclosed
EP-0994100-B1 3-ANILINO-2-CYCLOALKENONE DERIVATES NIKKEN CHEMICALS CO LTD (JP) 2006-08-30 EP disclosed
US-20040220227-A1 Remedies for allergic eye diseases NIKKEN CHEMICALS CO., LTD. (JP) 2004-11-04 US disclosed
EP-1410795-A1 REMEDIES FOR ALLERGIC EYE DISEASES Nikken Chemicals Company, Limited (JP) 2004-04-21 EP disclosed
US-6235736-B1 ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-05-22 US disclosed
EP-0994100-A1 3-ANILINO-2-CYCLOALKENONE DERIVATES Nikken Chemicals Company, Limited (JP) 2000-04-19 EP 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-20040220227-A1 Remedies for allergic eye diseases HRH2, HRH1, HRH4 TSHR 695/4885PDE4B 2290/4885KMT2A 2112/4885
US-20080306163-A1 AGENT FOR TREATMENT OF ALLERGIC EYE DISEASE HRH4, HRH3, HRH2 TSHR 299/4885PDE4B 2422/4885KMT2A 3042/4885

“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.