SCHEMBL10042363

SCHEMBL10042363

Cc1ccc(C(=O)C(C)N)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
KDM4E B2RXH2 1/20 0.52
DBH P09172 1/20 0.52
RECQL P46063 1/20 0.52
TRPA1 O75762 1/20 0.46
PTGS1 P23219 1/20 0.46
CACNA1C Q13936 1/20 0.46
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B1 P14061 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
MAPT P10636 1/20 0.40
CHRNA1 P02708 2/20 0.40
CHRNG P07510 2/20 0.40
CHRNB1 P11230 2/20 0.40
CHRNB2 P17787 2/20 0.40
SLC6A2 P23975 2/20 0.40

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
SCHEMBL426484 0.85 KDM4E (0.71) GAAKDM4EDBHRECQLTSHR
SCHEMBL23646742 0.85 SMN1; SMN2 (0.48) GAAKDM4EDBHRECQLTDP1
SCHEMBL4953998 0.85 KDM4E (0.71) GAAKDM4EDBHRECQLTSHR
SCHEMBL14595709 0.79 GAA (0.49) GAAKDM4EDBHRECQLTRPA1
SCHEMBL28987669 0.76 HSP90AA1 (0.50) GAAKDM4EDBHRECQLTSHR
SCHEMBL1805871 0.76 LCK (0.53) KDM4ETRPA1PTGS1CACNA1CTSHR
SCHEMBL1758255 0.76 HTT (0.61) TSHRCASP1HSD17B1TDP1CLK1
SCHEMBL15307401 0.75 GAA (0.44) GAAKDM4EDBHRECQLTRPA1
SCHEMBL17300597 0.74 GAA (0.47) GAAKDM4EDBHRECQLTRPA1
SCHEMBL16694617 0.74 ALDH1A1 (0.52) GAATDP1SLC6A2SLC6A4SLC6A3

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-20120022086-A1 CATECHOLAMINE DERIVATIVES FOR OBESITY AND NEUROLOGICAL DISORDERS EMORY UNIVERSITY (US) 2012-01-26 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-20120022086-A1 CATECHOLAMINE DERIVATIVES FOR OBESITY AND NEUROLOGICAL DISORDERS BDNF, NTRK2, COMT GAA 294/4885KDM4E 2077/4885DBH 14/4885

“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.