SCHEMBL456256

SCHEMBL456256

CC(c1ccc[nH]1)c1ccc[nH]1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
INCENP Q9NQS7 1/20 0.32
FKBP5 Q13451 1/20 0.31

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
SCHEMBL7009768 0.84 DAO (0.46) DAO
SCHEMBL75926 0.83
SCHEMBL4700498 0.79
SCHEMBL4581201 0.79
SCHEMBL1680413 0.79
SCHEMBL25423722 0.79
SCHEMBL23079299 0.79
SCHEMBL447798 0.79
SCHEMBL13754484 0.79 DAO (0.30) DAOHDAC8HDAC6AURKAAURKB
SCHEMBL1706879 0.79

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-20120277420-A1 REFINED ROUTES TO CHLORIN BUILDING BLOCKS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-8212055-B2 Refined routes to chlorin building blocks NORTH CAROLINA STATE UNIVERSITY (US) 2012-07-03 US disclosed
WO-2012033916-A1 METHOD FOR TREATING CHRONIC PAIN SOUTHERN ILLINOIS UNIVERSITY EDWARDSVILLE (US) 2012-03-15 WO disclosed
US-20100204465-A1 REFINED ROUTES TO CHLORIN BUILDING BLOCKS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-08-12 US disclosed
US-7678900-B2 Refined routes to chlorin building blocks NORTH CAROLINA STATE UNIVERSITY (US) 2010-03-16 US disclosed
US-20090069558-A1 REFINED ROUTES TO CHLORIN BUILDING BLOCKS NORTH CAROLINA STATE UNIVERSITY (US) 2009-03-12 US disclosed
US-7470785-B2 Refined routes to chlorin building blocks NORTH CAROLINA STATE UNIVERSITY (US) 2008-12-30 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 (3 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-20090069558-A1 REFINED ROUTES TO CHLORIN BUILDING BLOCKS DHFR, DDT, SHARPIN DAO 994/4885HDAC8 4452/4885HDAC6 4272/4885
US-20100204465-A1 REFINED ROUTES TO CHLORIN BUILDING BLOCKS DHFR, DDT, SHARPIN DAO 994/4885HDAC8 4452/4885HDAC6 4272/4885
US-20120277420-A1 REFINED ROUTES TO CHLORIN BUILDING BLOCKS DHFR, DDT, SHARPIN DAO 994/4885HDAC8 4452/4885HDAC6 4272/4885

“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.