SCHEMBL26430617

SCHEMBL26430617

COC(=O)C1CC(C)C1(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.50
ALDH1A1 P00352 1/20 0.37
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
BRD4 O60885 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
SCHEMBL12221716 0.81 ATM (0.41) ATMALDH1A1L3MBTL1LMNACYP2C19
SCHEMBL25554214 0.80 ATM (0.47) ATMCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL25544491 0.80 ATM (0.47) ATMCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL25544492 0.80 ATM (0.47) ATMCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13896056 0.77 ATM (0.45) ATMCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19715998 0.77 ATM (0.49) ATMCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL16821979 0.77 ATM (0.45) ATMCHRNB2CHRNA4CHRNB4CHRNA3
Formic Acid SCHEMBL27859384 0.75 ATM (0.38) ATML3MBTL1CYP2C19CYP1A2CYP2C9
SCHEMBL9756136 0.75 CD81 (0.33) LMNACYP2C19CYP1A2CYP2C9KMT2A
SCHEMBL12496346 0.75 APLNR (0.37) ATMALDH1A1LMNACYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 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-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 ATM 3899/4885ALDH1A1 1584/4885CHRNB2 4648/4885

“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.