SCHEMBL18145665

SCHEMBL18145665

CC(C)(C)OC(=O)CCC(=O)N(N)C(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL21668639 0.80 NOS1 (0.31) NOS1NOS3NOS2HDAC3HDAC1
SCHEMBL14454329 0.74 LTA4H (0.35) NOS1NOS3NOS2
SCHEMBL18661319 0.74 GABRP (0.35) NOS1NOS3NOS2HDAC1HDAC2
SCHEMBL18477 0.72 LTA4H (0.43) NOS1NOS3NOS2HDAC3HDAC1
SCHEMBL1654337 0.72 LTA4H (0.43) NOS1NOS3NOS2HDAC3HDAC1
SCHEMBL1841835 0.72 LTA4H (0.43) NOS1NOS3NOS2HDAC3HDAC1
SCHEMBL5197380 0.71 GABRP (0.50) NOS1NOS3NOS2HDAC3HDAC1
SCHEMBL1555914 0.71 GABRP (0.50) NOS1NOS3NOS2HDAC3HDAC1
SCHEMBL18145528 0.71 POLB (0.39) HDAC1HDAC2HDAC6
SCHEMBL14729331 0.71 POLB (0.39) HDAC1HDAC2HDAC6

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-10011632-B2 PSMA imaging agents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2018-07-03 US disclosed
US-20160304555-A1 PSMA Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2016-10-20 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 (2 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-10011632-B2 PSMA imaging agents FOLH1, KLK3, PSMA2 NOS1 4460/4885NOS3 4489/4885NOS2 4386/4885
US-20160304555-A1 PSMA Imaging Agents FOLH1, KLK3, PSMA2 NOS1 4460/4885NOS3 4489/4885NOS2 4386/4885

“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.