SCHEMBL12622720

SCHEMBL12622720

CC(C)(C)CNCc1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MC5R P33032 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ MC1R Q01726 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ CA2 P00918 1/20 0.47
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ SMPD1 P17405 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ DNM1 Q05193 1/20 0.44
▸ CYP2C9 P11712 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
SCHEMBL6008064 0.82 MC5R (0.70) MC5RMAPK1MC1RHPGDMEN1
SCHEMBL3626833 0.79 MC5R (0.57) MC5RMAPK1MC1RHPGDMEN1
SCHEMBL20495649 0.79 HPGD (0.69) MC5RMAPK1MC1RHPGDMEN1
SCHEMBL29582547 0.79 HPGD (0.69) MC5RMAPK1MC1RHPGDMEN1
SCHEMBL6989120 0.78 CA2 (0.50) MC5RMAPK1MC1RHPGDMEN1
SCHEMBL9305839 0.76 MC5R (0.58) MC5RMAPK1MC1RHPGDMEN1
SCHEMBL8851504 0.76 HPGD (0.61) MC5RMAPK1MC1RHPGDMEN1
SCHEMBL30029284 0.76 MC5R (0.61) MC5RMAPK1MC1RHPGDMEN1
SCHEMBL12250922 0.76 ATM (0.57) HPGDMEN1KMT2ACA2
SCHEMBL9721995 0.76 MC5R (0.61) MC5RMAPK1MC1RHPGDMEN1

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 MC5R 593/4885MAPK1 1001/4885MC1R 1037/4885

“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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