SCHEMBL12838129

SCHEMBL12838129

CNc1cccc(CC=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
APP P05067 1/20 0.39
HTR6 P50406 2/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
MAPT P10636 1/20 0.35
BRD4 O60885 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6686285 0.84 APP (0.35) TSHRAPPHTR6ROCK2ROCK1
SCHEMBL28387332 0.82 ALDH1A1 (0.42) TSHRAPPRAPGEF4MAPTSMN1; SMN2
SCHEMBL10133361 0.82 ALDH1A1 (0.52) HTR6RAPGEF4MAPTSMN1; SMN2
SCHEMBL25659414 0.81 APP (0.37) TSHRAPPHTR6ROCK2ROCK1
SCHEMBL18905641 0.81 TSHR (0.48) TSHRAPPHTR6ROCK2ROCK1
SCHEMBL7049636 0.79 APP (0.45) TSHRAPPHTR6ROCK2ROCK1
SCHEMBL7047409 0.79 TSHR (0.42) TSHRAPPHTR6ROCK2ROCK1
SCHEMBL8294345 0.78 NR3C1 (0.54) HTR6BRD4SMN1; SMN2HPGD
SCHEMBL8668658 0.78 TSHR (0.43) TSHRAPPHTR6MAPTHDAC4
SCHEMBL12345478 0.78 MAOB (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP disclosed
WO-2017061957-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-04-13 WO disclosed
US-20110059889-A1 PEPTIDES THAT BLOCK THE BINDING OF IgG TO FcRn SYNTONIX PHARMACEUTICALS, INC. 2011-03-10 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-20110059889-A1 PEPTIDES THAT BLOCK THE BINDING OF IgG TO FcRn FCGRT, FCGR3B, FCGR1A TSHR 509/4885APP 540/4885HTR6 3830/4885

“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.