SCHEMBL19979301

SCHEMBL19979301

CC(C)(C)CCOP(=O)([O-])OCC[N+](C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
AKT1 P31749 2/20 0.57
ESR1 P03372 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
CDC25A P30304 1/20 0.57
AGTR1 P30556 1/20 0.57
ADRA1A P35348 1/20 0.57
KCNH2 Q12809 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.53
PRKD3 O94806 1/20 0.44
PRKCG P05129 1/20 0.44
PRKCB P05771 1/20 0.44
PRKCA P17252 1/20 0.44
PRKCH P24723 1/20 0.44
PRKCI P41743 1/20 0.44
PRKCE Q02156 1/20 0.44
PRKCQ Q04759 1/20 0.44
PRKCZ Q05513 1/20 0.44
PRKCD Q05655 1/20 0.44
PRKD1 Q15139 1/20 0.44

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
SCHEMBL19979328 0.81 FABP3 (0.39) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL20362526 0.79 LMNA (0.54) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL906188 0.79 LMNA (0.68) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL4972574 0.79 LMNA (0.86) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL20090040 0.79 LMNA (0.62) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL26756555 0.79 LMNA (0.73) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL8561854 0.78 LMNA (0.61) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL1853865 0.77 SMN1; SMN2 (0.70) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL8588037 0.77 LMNA (0.61) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL19689041 0.76 LMNA (0.59) LMNAAKT1ESR1ADORA3CDC25A

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-11912709-B2 Temozolomide compounds, polymers prepared therefrom, and method of treating a disease UNIVERSITY OF MASSACHUSETTS (US) 2024-02-27 US disclosed
US-20180079754-A1 TEMOZOLOMIDE COMPOUNDS, POLYMERS PREPARED THEREFROM, AND METHOD OF TREATING A DISEASE NATIONAL SCIENCE FOUNDATION 2018-03-22 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-11912709-B2 Temozolomide compounds, polymers prepared therefrom, and method of treating a disease PBRM1, MGMT, TOP1 LMNA 300/4885AKT1 693/4885ESR1 4448/4885
US-20180079754-A1 TEMOZOLOMIDE COMPOUNDS, POLYMERS PREPARED THEREFROM, AND METHOD OF TREATING A DISEASE PBRM1, MGMT, TOP1 LMNA 300/4885AKT1 693/4885ESR1 4448/4885

“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.