SCHEMBL2969714

SCHEMBL2969714

COc1ccc(NC2=CC(=O)CCC2)cc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.55
CTSL P07711 3/20 0.55
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 1/20 0.48
SMPD1 P17405 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
POLB P06746 1/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
ALOX12 P18054 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
C5AR1 P21730 1/20 0.45

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
SCHEMBL2976229 0.83 SIGMAR1 (0.49) TSHRPOLBC5AR1
SCHEMBL2979737 0.76 TSHR (0.50) MEN1KMT2ATSHRPOLBPDE4A
SCHEMBL2972264 0.76 TSHR (0.49) CTSVCTSLMEN1KMT2ATSHR
SCHEMBL5704496 0.75 MT-CO2 (0.52) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL12636086 0.75 CTSV (0.57) CTSVCTSLKMT2ASMPD1HDAC1
SCHEMBL2982022 0.75 POLB (0.55) MEN1KMT2ATSHRPOLBPDE4A
SCHEMBL2981354 0.75 TSHR (0.53) MEN1KMT2ATSHRSMPD1PDE4A
SCHEMBL2973867 0.74 TSHR (0.50) MEN1KMT2ATSHRPDE4APDE4B
SCHEMBL2981332 0.74 TSHR (0.50) MEN1KMT2ATSHRPDE4APDE4B
SCHEMBL2981348 0.74 TSHR (0.52) MEN1KMT2ATSHRPDE4APDE4B

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 CTSV 1085/4885CTSL 1231/4885MEN1 4205/4885
US-20080306163-A1 AGENT FOR TREATMENT OF ALLERGIC EYE DISEASE HRH4, HRH3, HRH2 CTSV 1772/4885CTSL 2409/4885MEN1 3233/4885

“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.