SCHEMBL21961899

SCHEMBL21961899

COC(=O)C1(C)CC(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
IDO1 P14902 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 3/20 0.32
CYP2C9 P11712 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTT P42858 1/20 0.32
OPRK1 P41145 2/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL20245770 0.79 POLB (0.37) POLBL3MBTL1MEN1KMT2AIDO1
SCHEMBL21961917 0.78 POLB (0.39) POLBL3MBTL1ALDH1A1LMNAGAA
SCHEMBL20253619 0.74 TSHR (0.32) POLBL3MBTL1MEN1KMT2AIDO1
SCHEMBL24137720 0.72 ALDH1A1 (0.41) POLBL3MBTL1ALDH1A1LMNA
SCHEMBL757258 0.72
SCHEMBL2121481 0.72
SCHEMBL3519499 0.71 POLB (0.50) POLBL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL18028241 0.71 KDM4E (0.31) POLBMEN1KMT2AKDM4EMAPT
SCHEMBL24517074 0.71 LMNA (0.32) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL20245656 0.70 POLB (0.32) POLBL3MBTL1IDO1ALDH1A1

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-20210403445-A1 SYSTEMS AND METHODS FOR REGIOSELECTIVE CARBONYLATION OF 2,2-DISUBSTITUTED EPOXIDES CORNELL UNIVERSITY 2021-12-30 US disclosed
US-20210403445-A1 SYSTEMS AND METHODS FOR REGIOSELECTIVE CARBONYLATION OF 2,2-DISUBSTITUTED EPOXIDES CORNELL UNIVERSITY 2021-12-30 US disclosed
WO-2020102816-A1 SYSTEMS AND METHODS FOR REGIOSELECTIVE CARBONYLATION OF 2,2-DISUBSTITUTED EPOXIDES CORNELL UNIVERSITY (US) 2020-05-22 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 (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-20210403445-A1 SYSTEMS AND METHODS FOR REGIOSELECTIVE CARBONYLATION OF 2,2-DISUBSTITUTED EPOXIDES LTC4S, LSS, CYCS POLB 1440/4885L3MBTL1 1369/4885MEN1 3137/4885

“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.