SCHEMBL2978223

SCHEMBL2978223

COc1ccc(NC2=CC(=O)CC2)cc1OCCc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
MAOB P27338 1/20 0.43
SMPD1 P17405 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
HTR6 P50406 2/20 0.38
MAPT P10636 1/20 0.38
TRPM5 Q9NZQ8 1/20 0.38
ABCB1 P08183 2/20 0.38
ABCC1 P33527 2/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
NPBWR1 P48145 1/20 0.38
ADAM17 P78536 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 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
SCHEMBL2980586 0.83 LMNA (0.45) TSHRMAOBSMPD1L3MBTL1PARP15
SCHEMBL2976229 0.83 SIGMAR1 (0.49) TSHR
SCHEMBL2981354 0.78 TSHR (0.53) TSHRSMPD1MAPTGAA
SCHEMBL6841050 0.76 CYP17A1 (0.57) TSHRL3MBTL1HTR6
SCHEMBL2969685 0.75 TSHR (0.46) TSHRGAA
SCHEMBL5704545 0.74 SMPD1 (0.48) TSHRMAOBSMPD1L3MBTL1PARP15
SCHEMBL6585008 0.74 FDPS (0.55) TSHRSMPD1MAPTTRPM5
SCHEMBL2981348 0.72 TSHR (0.52) TSHR
SCHEMBL5704535 0.72 MAPT (0.53) SMPD1MAPTGAA
SCHEMBL2972264 0.72 TSHR (0.49) TSHRL3MBTL1HCRTR1HCRTR2

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 695/4885MAOB 1934/4885SMPD1 1767/4885
US-20080306163-A1 AGENT FOR TREATMENT OF ALLERGIC EYE DISEASE HRH4, HRH3, HRH2 TSHR 299/4885MAOB 1699/4885SMPD1 2398/4885

“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.