SCHEMBL910686

SCHEMBL910686

Cc1cccc(C(=O)c2c(C)cccc2[C]=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
PARP1 P09874 1/20 0.47
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
KCNK3 O14649 2/20 0.41
KCNK9 Q9NPC2 2/20 0.41
HPGD P15428 2/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CNR2 P34972 2/20 0.41
CTSL P07711 1/20 0.40
CTSK P43235 1/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39

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
SCHEMBL3282179 0.85 ALDH1A1 (0.45) POLBALDH1A1MAPTHPGDMEN1
SCHEMBL9712611 0.83 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2HPGDMEN1
SCHEMBL23140713 0.81 POLB (0.64) POLBPARP1HDAC8HDAC6ALDH1A1
SCHEMBL10783038 0.79 POLB (0.58) POLBPARP1HDAC8HDAC6ALDH1A1
SCHEMBL8012007 0.77 POLB (0.55) POLBPARP1HDAC8HDAC6ALDH1A1
SCHEMBL9712451 0.77 HTT (0.42) ALDH1A1MAPTSMN1; SMN2HPGDMEN1
SCHEMBL186545 0.76 PARP1 (0.68) POLBPARP1HDAC8HDAC6SMN1; SMN2
SCHEMBL29503529 0.76 PARP1 (0.68) POLBPARP1HDAC8HDAC6SMN1; SMN2
SCHEMBL15264066 0.74 PARP1 (0.65) POLBPARP1HDAC8HDAC6SMN1; SMN2
SCHEMBL779279 0.73 HDAC8 (0.47) POLBPARP1HDAC8HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same SHISEIDO COMPANY LTD. (JP) 2011-01-06 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-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same CUTA, GLRA3, ARGLU1 POLB 3814/4885PARP1 3127/4885HDAC8 1202/4885

“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.