SCHEMBL25496472

SCHEMBL25496472

O=C(/C=C/c1cccc2c1CNC2)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.57
▸ AKR1B10 O60218 7/20 0.53
▸ AKR1B1 P15121 7/20 0.53
▸ CA12 O43570 2/20 0.53
▸ CA4 P22748 2/20 0.53
▸ CA6 P23280 2/20 0.53
▸ CA5A P35218 2/20 0.53
▸ CA7 P43166 2/20 0.53
▸ CA9 Q16790 2/20 0.53
▸ CA14 Q9ULX7 2/20 0.53
▸ CA5B Q9Y2D0 2/20 0.53
▸ TTR P02766 1/20 0.49
▸ HCAR2 Q8TDS4 4/20 0.49
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ ALOX5 P09917 2/20 0.44
▸ MAOB P27338 2/20 0.42
▸ MAOA P21397 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PTGER1 P34995 1/20 0.40

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
SCHEMBL28838781 0.79 LMNA (0.51) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL27968997 0.74 LMNA (0.67) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL11837322 0.74 LMNA (0.67) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL11837318 0.74 LMNA (0.67) LMNAAKR1B10AKR1B1CA12CA4
Benzyl Cinnamate SCHEMBL1871854 0.74 LMNA (1.00) LMNAAKR1B10AKR1B1CA12CA4
Benzyl Cinnamate SCHEMBL43213 0.74 LMNA (1.00) LMNAAKR1B10AKR1B1CA12CA4
Benzyl Cinnamate SCHEMBL901152 0.74 LMNA (1.00) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL13552179 0.74 LMNA (0.93) LMNAAKR1B10AKR1B1CA12CA4
Benzyl Cinnamate SCHEMBL43212 0.74 LMNA (1.00) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL24812776 0.74 LMNA (0.45) LMNAAKR1B10AKR1B1CA12CA4

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-20230158153-A1 PI3 KINASE INHIBITORS AND USES THEREOF PURDUE RESEARCH FOUNDATION 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-20230158153-A1 PI3 KINASE INHIBITORS AND USES THEREOF MMP1, PIK3CA, AKT2 LMNA 2101/4885AKR1B10 3253/4885AKR1B1 2510/4885

“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.

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