SCHEMBL6482522

SCHEMBL6482522

CCN(C(=O)c1ccccc1)C(OC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 1/20 0.42
PGR P06401 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
KCNH2 Q12809 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.40
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KMT2A Q03164 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL7217647 0.78 ALDH1A1 (0.44) ALDH1A1HPGDMAPTPGRADRA2A
SCHEMBL12984511 0.78 ALDH1A1 (0.44) ALDH1A1HPGDMAPTPGRADRA2A
SCHEMBL1004615 0.78 NAMPT (0.55) ALDH1A1HPGDMAPTPGRADRA2A
SCHEMBL12984130 0.75 ALDH1A1 (0.47) ALDH1A1HPGDMAPTPGRADRA2A
SCHEMBL12984476 0.74 ALDH1A1 (0.43) ALDH1A1HPGDMAPTPGRADRA2A
SCHEMBL12984203 0.74 KMT2A (0.45) ALDH1A1HPGDMAPTPGRADRA2A
SCHEMBL12983984 0.73 KMT2A (0.44) ALDH1A1HPGDMAPTPGRADRA2A
SCHEMBL28214961 0.72 HPGD (0.47) ALDH1A1HPGDMAPTPGRADRA2A
SCHEMBL29172976 0.71 ALDH1A1 (0.46) ALDH1A1HPGDMAPTPGRADRA2A
SCHEMBL12984116 0.71 MEN1 (0.48) ALDH1A1HPGDMAPTPGRADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6953779-B2 Melanocortin receptor antagonists and modulations of melanocortin receptor activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-10-11 US disclosed
US-20020004485-A1 Melanocortin receptor antagonists and modulations of melanocortin receptor activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-01-10 US disclosed
US-6228840-B1 ADMINISTERING N-ANISOYLATED HEPTAPEPTIDE TO INHIBIT MELANOCYTE STIMULATING HORMONE; TREATING MELANOMAS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-05-08 US disclosed
WO-1999043709-A2 MELANOCORTIN RECEPTOR ANTAGONISTS AND MODULATIONS OF MELANOCORTIN RECEPTOR ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-09-02 WO 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-20020004485-A1 Melanocortin receptor antagonists and modulations of melanocortin receptor activity MC3R, MC1R, MC5R ALDH1A1 3482/4885HPGD 2566/4885MAPT 3355/4885

“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.