SCHEMBL21987643

SCHEMBL21987643

COC(=O)CC(=O)C1CCC2(CC1)OCCO2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 2/20 0.40
CYP2C19 P33261 2/20 0.40
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 2/20 0.34
GPR119 Q8TDV5 1/20 0.33
C5AR1 P21730 1/20 0.33

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
SCHEMBL583466 0.86 POLB (0.43) ALDH1A1KMT2AMEN1CYP2C19CTSS
SCHEMBL20624974 0.81 MMP13 (0.36) ALDH1A1KMT2AMEN1CYP2C19LMNA
SCHEMBL594661 0.81 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1CYP2C19CTSS
SCHEMBL595059 0.79 MAPK1 (0.41) ALDH1A1KMT2AMEN1CYP2C19CTSS
SCHEMBL3188594 0.79 TP53 (0.41) ALDH1A1KMT2AMEN1CYP2C19CTSS
SCHEMBL15069494 0.79 MAPK1 (0.44) ALDH1A1KMT2AMEN1CYP2C19CTSS
SCHEMBL966486 0.78 GPR119 (0.39) ALDH1A1KMT2AMEN1CYP2C19CTSS
SCHEMBL221809 0.78 GAA (0.46) KMT2AMEN1MGAMGAASI
SCHEMBL584691 0.77 GAA (0.39) ALDH1A1KMT2AMEN1CYP2C19CTSS
SCHEMBL3594828 0.77 GLA (0.39) MGAMGAASIMGAM2SMN1; SMN2

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 5 patents. 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
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 US disclosed
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 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-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, PYGL ALDH1A1 1615/4885KMT2A 3153/4885MEN1 4390/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 ALDH1A1 1584/4885KMT2A 3232/4885MEN1 3150/4885

“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.