SCHEMBL19360780

SCHEMBL19360780

COC(=O)C1(C)CC(C)C1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.32
APLNR P35414 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 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
SCHEMBL11919623 0.83 DPP4 (0.35) NPSR1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL14218899 0.83 DPP4 (0.35) NPSR1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL12696686 0.81 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATSHRL3MBTL1
SCHEMBL20285870 0.81 NPSR1 (0.34) NPSR1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL19348571 0.81 NPSR1 (0.34) NPSR1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL11303192 0.80 CYP1A2 (0.43) NPSR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL25741024 0.80 CYP1A2 (0.43) NPSR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL25253736 0.79 EPHX2 (0.34) NPSR1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL21576490 0.79 NPSR1 (0.33) NPSR1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL20690392 0.79 NPSR1 (0.33) NPSR1ALDH1A1MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-05-25 US disclosed
US-20170267661-A1 INHIBITORS OF RET BLUEPRINT MEDICINES CORPORATION 2017-09-21 US disclosed
WO-2017161269-A1 INHIBITORS OF RET RECEPTOR TYROSINE KINASES BLUEPRINT MEDICINES CORPORATION (US) 2017-09-21 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 (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-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS TCOF1, SLC10A2, PAM NPSR1 2104/4885ALDH1A1 4179/4885MEN1 77/4885
US-20170267661-A1 INHIBITORS OF RET RET, HRAS, RB1 NPSR1 3593/4885ALDH1A1 3153/4885MEN1 376/4885

“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.