SCHEMBL10312555

SCHEMBL10312555

Cc1ccc(-c2noc(CC(C)(C)C(=O)O)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
MAPT P10636 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
HDAC2 Q92769 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
TDP1 Q9NUW8 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
CASP3 P42574 2/20 0.51
SENP8 Q96LD8 2/20 0.51
SENP7 Q9BQF6 2/20 0.51
SENP6 Q9GZR1 2/20 0.51
MAPK1 P28482 1/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HDAC1 Q13547 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
NFKB1 P19838 1/20 0.50

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
SCHEMBL12895735 0.82 SMN1; SMN2 (0.56) TSHRMAPTSMN1; SMN2TDP1NPSR1
SCHEMBL3616245 0.80 NOTUM (0.58) TSHRSMN1; SMN2HDAC2HDAC8NPC1
SCHEMBL11829447 0.80 MAPT (0.58) TSHRMAPTSMN1; SMN2HDAC2HDAC8
SCHEMBL1544555 0.79 KMT2A (0.56) TSHRMAPTSMN1; SMN2TDP1NPC1
SCHEMBL31628088 0.78 HDAC2 (0.55) TSHRMAPTSMN1; SMN2HDAC2HDAC8
SCHEMBL1684613 0.77 TSHR (0.74) TSHRMAPTHDAC2HDAC8NPSR1
SCHEMBL22442352 0.77 TSHR (0.59) TSHRMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL14736589 0.77 PDE10A (0.56) TSHRMAPTSMN1; SMN2HDAC2HDAC8
SCHEMBL14374428 0.77 MAPT (0.58) TSHRMAPTSMN1; SMN2HDAC2HDAC8
SCHEMBL27147499 0.76 TSHR (0.57) TSHRMAPTSMN1; SMN2NPC1RAB9A

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-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. (US) 2012-07-12 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-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 TSHR 727/4885MAPT 2701/4885SMN1; SMN2 3840/4885

“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.