SCHEMBL15964220

SCHEMBL15964220

Cc1ccc(C[C@@H](N)C(=O)C2C[C@H](OCc3ccccc3)C[C@@H]2CCn2ccnc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
HMOX1 P09601 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
CYP24A1 Q07973 1/20 0.36
CYP11B1 P15538 4/20 0.36
CYP17A1 P05093 2/20 0.36
CYP21A2 P08686 2/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP19A1 P11511 3/20 0.35
TBXAS1 P24557 1/20 0.35
KCNA5 P22460 1/20 0.35
CYP11B2 P19099 2/20 0.35
TBXA2R P21731 2/20 0.35
GHSR Q92847 1/20 0.34
MC4R P32245 1/20 0.34
MC3R P41968 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
SCHEMBL15965833 0.90 MC4R (0.36) ALDH1A1KDM4EMC4RMC3RMC1R
SCHEMBL13964474 0.81 MC4R (0.52) HMOX1HRH4CYP11B1CYP17A1CYP21A2
SCHEMBL16272846 0.73 MC4R (0.52) HMOX1HRH4CYP11B1CYP19A1CYP11B2
SCHEMBL15693296 0.71 MC4R (0.55) MC4RMC3RMC1R
SCHEMBL7370531 0.63 QPCT (0.66) ALDH1A1HPGDDUSP3PTPN5PTPN11
SCHEMBL8589702 0.63 CYP19A1 (0.53) ALDH1A1HMOX1HRH4CYP11B1KDM4E
SCHEMBL8589704 0.63 CYP19A1 (0.53) ALDH1A1HMOX1HRH4CYP11B1KDM4E
SCHEMBL11280320 0.63 CYP19A1 (0.56) CYP11B1CYP17A1CYP19A1TBXAS1CYP11B2
SCHEMBL13534747 0.62 ALDH1A1 (0.53) ALDH1A1KDM4E
SCHEMBL14599837 0.62 ALDH1A1 (0.53) ALDH1A1KDM4E

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-20140235604-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-08-21 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-20140235604-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT ALDH1A1 245/4885HPGD 1365/4885DUSP3 4816/4885

“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.