SCHEMBL21987140

SCHEMBL21987140

O=C1OC(=O)[C@H]2CC[C@@H]1O2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.48
LMNA P02545 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.48
GMNN O75496 2/20 0.48
PPM1B O75688 2/20 0.48
PPP1CC P36873 2/20 0.48
TFPI2 P48307 2/20 0.48
PPP5C P53041 2/20 0.48
PPP1CA P62136 2/20 0.48
PMP22 Q01453 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
NFKB1 P19838 2/20 0.48
THPO P40225 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP3A4 P08684 3/20 0.32
MAPK1 P28482 3/20 0.32
HIF1A Q16665 2/20 0.32
CYP1A2 P05177 2/20 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
SCHEMBL9601537 1.00 TP53 (0.48) TP53LMNARAB9ASMN1; SMN2KDM4E
SCHEMBL9602259 0.88 TP53 (0.44) TP53LMNARAB9ASMN1; SMN2KDM4E
SCHEMBL1664815 0.71 TP53 (0.33) TP53LMNARAB9ASMN1; SMN2KDM4E
SCHEMBL5486329 0.69
SCHEMBL125505 0.69 KDM4E (0.31) TP53LMNARAB9ASMN1; SMN2KDM4E
SCHEMBL14187990 0.68 KDM4E (0.38) TP53LMNARAB9ASMN1; SMN2KDM4E
SCHEMBL21999910 0.68 KDM4E (0.53) TP53LMNARAB9ASMN1; SMN2KDM4E
SCHEMBL910480 0.68 KDM4E (0.53) TP53LMNARAB9ASMN1; SMN2KDM4E
SCHEMBL112827 0.68 KDM4E (0.53) TP53LMNARAB9ASMN1; SMN2KDM4E
SCHEMBL19107418 0.68 KDM4E (0.53) TP53LMNARAB9ASMN1; SMN2KDM4E

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-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

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 TP53 513/4885LMNA 3136/4885RAB9A 2841/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 TP53 1398/4885LMNA 2714/4885RAB9A 3060/4885

“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.