SCHEMBL14450620

SCHEMBL14450620

CC[C@@H](O)Cn1ccc(C)nc1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.37
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
FGFR1 P11362 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
KMT2A Q03164 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
CSNK2A1 P68400 2/20 0.33
PKM P14618 1/20 0.33
GRIN1 Q05586 4/20 0.32
GRIN2B Q13224 4/20 0.32
AGER Q15109 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL18069556 0.83 FGFR1 (0.50) MAPTLMNAFGFR1SLC22A6
SCHEMBL140792 0.83 FGFR1 (0.50) MAPTLMNAFGFR1SLC22A6
SCHEMBL14963612 0.80 MAPT (0.47) TSHRMAPTLMNAHTTALDH1A1
SCHEMBL27056613 0.77 MEN1 (0.37) HPGDMAPTALDH1A1KMT2ACSNK2A1
SCHEMBL27056610 0.77 MEN1 (0.37) HPGDMAPTALDH1A1KMT2ACSNK2A1
SCHEMBL2865257 0.77 KMT2A (0.40) TSHRMAPTLMNAALDH1A1DRD2
SCHEMBL27059540 0.76 DRD2 (0.34) MAPTDRD2DRD3KMT2APKM
SCHEMBL25520895 0.75 FGFR1 (0.52) MAPTLMNAALDH1A1FGFR1KMT2A
SCHEMBL26040211 0.72 PKM (0.62) LMNAALDH1A1PKML3MBTL1
SCHEMBL27056608 0.72 KMT2A (0.47) MAPTLMNAHTTALDH1A1KMT2A

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-20070167353-A1 PRODRUG COMPOSITION THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2007-07-19 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-20070167353-A1 PRODRUG COMPOSITION ADA, SLC29A1, SLC29A2 TSHR 4217/4885HPGD 1251/4885MAPT 2338/4885

“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.