SCHEMBL2976229

SCHEMBL2976229

COc1ccc(NC2=CC(=O)CC2)cc1OCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.49
TSHR P16473 1/20 0.49
EBP Q15125 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
C5AR1 P21730 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL2981354 0.83 TSHR (0.53) TSHR
SCHEMBL2978223 0.83 TSHR (0.44) TSHR
SCHEMBL2969714 0.83 CTSV (0.55) TSHRC5AR1POLB
SCHEMBL2976571 0.81 LMNA (0.50) SIGMAR1TSHREBPTMEM97C5AR1
SCHEMBL2969685 0.80 TSHR (0.46) TSHRC5AR1NPC1
SCHEMBL2972264 0.79 TSHR (0.49) TSHR
SCHEMBL2981348 0.77 TSHR (0.52) TSHR
SCHEMBL2973867 0.75 TSHR (0.50) TSHRC5AR1
SCHEMBL2981332 0.75 TSHR (0.50) TSHRC5AR1
SCHEMBL2972125 0.73 TSHR (0.53) TSHRPOLB

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 SIGMAR1 1365/4885TSHR 695/4885EBP 210/4885
US-20080306163-A1 AGENT FOR TREATMENT OF ALLERGIC EYE DISEASE HRH4, HRH3, HRH2 SIGMAR1 554/4885TSHR 299/4885EBP 1142/4885

“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.