SCHEMBL3753879

SCHEMBL3753879

Cc1cccc(C(=O)C(=O)c2cccc(C)c2)c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.68
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.59
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
HPGD P15428 2/20 0.57
KCNK3 O14649 2/20 0.57
KCNK9 Q9NPC2 2/20 0.57
KCNH2 Q12809 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
POLB P06746 2/20 0.55
CES2 O00748 4/20 0.54
CES1 P23141 4/20 0.54
ACHE P22303 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL31529061 0.93 CES2 (0.65) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL3753584 0.93 CES2 (0.65) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL2060236 0.89 PARP1 (0.61) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL12287066 0.89 PARP1 (0.61) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL29922789 0.89 PARP1 (0.61) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL27537612 0.87 PARP1 (0.59) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL10793079 0.87 PARP1 (0.70) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL11603276 0.87 PARP1 (0.59) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL3063840 0.86 NT5E (0.61) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL29503529 0.85 PARP1 (0.68) PARP1HDAC8HDAC6SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170214075-A1 POLYMER OF FLUORINE-CONTAINING SULFONATED POLY(ARYLENE ETHER)S AND METHOD OF MANUFACTURING THE SAME NAT SUN YAT-SEN UNIV (TW) 2017-07-27 US disclosed
US-7842830-B2 Transition-metal charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2010-11-30 US disclosed
US-7842830-B2 Transition-metal charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2010-11-30 US disclosed
US-20080121870-A1 Transition-Metal Charge Transport Materials, Methods Of Fabrication Thereof, And Methods Of Use Thereof GEORGIA TECH RESEACH CORPORATION 2008-05-29 US disclosed
US-20080121870-A1 Transition-Metal Charge Transport Materials, Methods Of Fabrication Thereof, And Methods Of Use Thereof GEORGIA TECH RESEACH CORPORATION 2008-05-29 US disclosed
WO-2005123754-A2 TRANSITION-METAL CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2005-12-29 WO 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-20080121870-A1 Transition-Metal Charge Transport Materials, Methods Of Fabrication Thereof, And Methods Of Use Thereof SLC39A3, SLC6A6, SLC6A9 PARP1 917/4885HDAC8 3621/4885HDAC6 2056/4885

“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.