SCHEMBL6469379

SCHEMBL6469379

c1ccc(CO[C]2CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MAOB P27338 6/20 0.48
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GAA P10253 1/20 0.48
MAOA P21397 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
IDO1 P14902 1/20 0.48

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
SCHEMBL3660167 0.91 TSHR (0.48) TSHRLMNACYP1A2PTGS1SLC6A2
SCHEMBL3278335 0.91 TSHR (0.48) TSHRLMNACYP1A2PTGS1SLC6A2
SCHEMBL1061320 0.89 TSHR (0.46) TSHRLMNACYP1A2PTGS1SLC6A2
SCHEMBL27367676 0.74 LMNA (0.82) LMNACYP1A2PTGS1SLC6A2CYP2C19
Benzylphenylether SCHEMBL61660 0.74 LMNA (0.74) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL339812 0.74 MAPT (0.71) TSHRLMNACYP1A2PTGS1SLC6A2
SCHEMBL339813 0.74 LMNA (0.82) LMNACYP1A2PTGS1SLC6A2CYP2C19
Benzylphenylether SCHEMBL23235842 0.72 LMNA (0.71) LMNACYP1A2PTGS1SLC6A2CYP2C19
Benzylphenylether SCHEMBL8019776 0.72 LMNA (0.71) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL4674930 0.72 MEN1 (0.70) LMNACYP1A2PTGS1SLC6A2CYP2C19

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050192279-A1 Pyridazinones as antagonists of alpha4 integrins JANSSEN PHARAMACEUTICA, N.V. (BE) 2005-09-01 US disclosed
CN-1171859-C Fungicide and insecticide benzyloxycyclopropyl substituted aromatic compund fungicide ������ũ�������ι�˾ 2004-10-20 CN disclosed
CN-1171859-C Fungicide and insecticide benzyloxycyclopropyl substituted aromatic compund fungicide ������ũ�������ι�˾ 2004-10-20 CN disclosed
EP-1050528-B1 Fungicidal and insecticidal benzyloxy cyclopropyl substituted aromatic compounds DOW AGROSCIENCES LLC (US) 2003-01-22 EP disclosed
EP-1050528-B1 Fungicidal and insecticidal benzyloxy cyclopropyl substituted aromatic compounds DOW AGROSCIENCES LLC (US) 2003-01-22 EP disclosed
US-6335367-B1 Fungicidal and insecticidal benzyloxy cyclopropyl substituted aromatic compounds DOW AGROSCIENCES LLC 2002-01-01 US disclosed
US-6335367-B1 Fungicidal and insecticidal benzyloxy cyclopropyl substituted aromatic compounds DOW AGROSCIENCES LLC 2002-01-01 US disclosed
CN-1273236-A Fungicide and insecticide benzyloxycyclopropyl substituted aromatic compund fungicide ROHM & HAAS (US) 2000-11-15 CN disclosed
CN-1273236-A Fungicide and insecticide benzyloxycyclopropyl substituted aromatic compund fungicide ROHM & HAAS (US) 2000-11-15 CN disclosed
EP-1050528-A1 Fungicidal and insecticidal benzyloxy cyclopropyl substituted aromatic compounds ROHM AND HAAS COMPANY (US) 2000-11-08 EP disclosed
EP-1050528-A1 Fungicidal and insecticidal benzyloxy cyclopropyl substituted aromatic compounds ROHM AND HAAS COMPANY (US) 2000-11-08 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 (1 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-20050192279-A1 Pyridazinones as antagonists of alpha4 integrins ITGB4, ITGA4, ITGB5 TSHR 1856/4885LMNA 1131/4885CYP1A2 2555/4885

“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.