SCHEMBL25544491

SCHEMBL25544491

COC(=O)[C@H]1C[C@@H](O)C1(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.47
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
HIF1A Q16665 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
SCHEMBL25544492 1.00 ATM (0.47) ATMCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL25554214 1.00 ATM (0.47) ATMCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL26430617 0.80 ATM (0.50) ATMCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13896056 0.78 ATM (0.45) ATMCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL16821979 0.78 ATM (0.45) ATMCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19715998 0.78 ATM (0.49) ATMCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL31336576 0.74 ATM (0.42) ATMCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL294509 0.73
SCHEMBL13397412 0.72 ATM (0.41) ATMCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL18723524 0.72 ATM (0.41) ATMCHRNB2CHRNA4CHRNB4CHRNA3

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-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 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-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 ATM 2493/4885CHRNB2 1751/4885CHRNA4 1931/4885

“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.