SCHEMBL10154342

SCHEMBL10154342

COC(=O)COc1ccccc1C(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.59
NAMPT P43490 1/20 0.59
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 5/20 0.56
GAA P10253 2/20 0.56
ALOX15 P16050 1/20 0.54
RXRA P19793 1/20 0.52
RXRB P28702 1/20 0.52
RXRG P48443 1/20 0.52
MAPT P10636 2/20 0.48
TRPV1 Q8NER1 1/20 0.47
RBP4 P02753 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.46
AR P10275 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.45

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
SCHEMBL2350382 0.85 AR (0.57) NPSR1NAMPTKDM4EALDH1A1RXRA
SCHEMBL10257400 0.85 NPSR1 (0.55) NPSR1NAMPTKDM4EALDH1A1GAA
SCHEMBL30301257 0.85 NPSR1 (0.55) NPSR1NAMPTKDM4EALDH1A1GAA
SCHEMBL7898197 0.84 USP2 (0.56) NPSR1NAMPTKDM4EALDH1A1GAA
SCHEMBL2108882 0.84 NPSR1 (0.53) NPSR1NAMPTKDM4EALDH1A1GAA
SCHEMBL10506317 0.84 SMN1; SMN2 (0.60) NPSR1KDM4EALDH1A1MAPTHTT
SCHEMBL5000594 0.83 NPSR1 (0.67) NPSR1NAMPTKDM4EALDH1A1GAA
SCHEMBL4855773 0.81 NPSR1 (0.57) NPSR1NAMPTKDM4EALDH1A1GAA
SCHEMBL29755017 0.81 NPSR1 (0.57) NPSR1NAMPTKDM4EALDH1A1GAA
SCHEMBL7898212 0.81 NPSR1 (0.57) NPSR1NAMPTKDM4EALDH1A1GAA

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-8569512-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 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-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 NPSR1 74/4885NAMPT 1926/4885KDM4E 4010/4885

“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.