SCHEMBL6446602

SCHEMBL6446602

COC(=O)[C@H](C(=O)NCCN1CCOCC1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 3/20 0.50
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
KMT2A Q03164 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL6444567 1.00 TSHR (0.56) TSHRTDP1ALDH1A1NPSR1POLB
SCHEMBL6446598 1.00 TSHR (0.56) TSHRTDP1ALDH1A1NPSR1POLB
SCHEMBL6448647 0.88 TSHR (0.52) TSHRTDP1ALDH1A1NPSR1KMT2A
SCHEMBL6443372 0.86 TSHR (0.58) TSHRTDP1ALDH1A1NPSR1
SCHEMBL6443369 0.86 TSHR (0.58) TSHRTDP1ALDH1A1NPSR1
SCHEMBL6443366 0.86 TSHR (0.58) TSHRTDP1ALDH1A1NPSR1
SCHEMBL739486 0.81 TSHR (0.66) TSHRTDP1ALDH1A1NPSR1POLB
SCHEMBL6138380 0.78 TSHR (0.59) TSHRTDP1ALDH1A1NPSR1POLB
SCHEMBL13689024 0.78 TSHR (0.59) TSHRTDP1ALDH1A1NPSR1POLB
SCHEMBL1726101 0.78 TSHR (0.59) TSHRTDP1ALDH1A1NPSR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 TSHR 2585/4885TDP1 758/4885ALDH1A1 889/4885

“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.