SCHEMBL1819686

SCHEMBL1819686

CC(CCc1ccccc1)C(=O)N(C)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.55
▸ HPGD P15428 2/20 0.46
▸ CHRNB2 P17787 1/20 0.46
▸ CHRNB4 P30926 1/20 0.46
▸ CHRNA3 P32297 1/20 0.46
▸ CHRNA4 P43681 1/20 0.46
▸ KMT2A Q03164 5/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ HTT P42858 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL18325693 0.83 HPGD (0.66) TSHRHPGDCHRNB2CHRNB4CHRNA3
SCHEMBL24767635 0.83 CHRNB2 (0.48) TSHRHPGDCHRNB2CHRNB4CHRNA3
SCHEMBL1818244 0.83 TSHR (0.43) TSHRHPGDCHRNB2CHRNB4CHRNA3
SCHEMBL25634656 0.80 CHRNB2 (0.46) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1491198 0.80 CHRNB2 (0.46) TSHRHPGDCHRNB2CHRNB4CHRNA3
SCHEMBL1822594 0.78 ATM (0.42) TSHRHPGDCHRNB2CHRNB4CHRNA3
SCHEMBL473576 0.77 TSHR (0.68) TSHRHPGDKMT2ASMN1; SMN2MEN1
SCHEMBL264775 0.77 TSHR (0.68) TSHRHPGDKMT2ASMN1; SMN2MEN1
SCHEMBL12670558 0.77 TSHR (0.68) TSHRHPGDKMT2ASMN1; SMN2MEN1
SCHEMBL1073143 0.77 TSHR (0.68) TSHRHPGDKMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947712-B2 Antiarthritic agents; asthma; chronic obstructive pulminary diosrders; atherosclerosis; vision defects; hepatitis; central nervous system disorders; cardiovascular disorders; wound healing agents; restenosis; cirrhosis; multiple sclerosis; glomerulonephritis; graft versus host disease; antidiabetic agent WYETH LLC (US) 2011-05-24 — — US disclosed
US-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof WYETH (US) 2008-10-30 — — US 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-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof MMP8, MMP26, MMP9 TSHR 1695/4885HPGD 83/4885CHRNB2 2712/4885

“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.

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