SCHEMBL718960

SCHEMBL718960

C=C(c1ccccc1)c1cccc(OC(C)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.54
▸ ELANE P08246 2/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ MAPT P10636 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ ACHE P22303 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.47
▸ AKR1C3 P42330 1/20 0.46
▸ MAOB P27338 1/20 0.45
▸ BACE1 P56817 1/20 0.45

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
SCHEMBL10943195 0.85 ELANE (0.61) LMNAELANECYP3A4MAPTMAPK1
SCHEMBL7642460 0.84 LMNA (0.59) LMNAELANECYP3A4MAPTMAPK1
SCHEMBL717516 0.84 ELANE (0.76) LMNAELANEMAPTMAPK1TDP1
SCHEMBL5314324 0.84 ELANE (0.70) LMNAELANECYP3A4MAPTMAPK1
SCHEMBL258461 0.82 LMNA (0.68) LMNAELANECYP3A4MAPTMAPK1
SCHEMBL29492631 0.82 LMNA (0.68) LMNAELANECYP3A4MAPTMAPK1
SCHEMBL9360465 0.81 LMNA (0.66) LMNAELANECYP3A4MAPTMAPK1
Hydrochloric Acid SCHEMBL9082486 0.81 LMNA (0.66) LMNAELANECYP3A4MAPTMAPK1
SCHEMBL3141164 0.80 LMNA (0.63) LMNAELANECYP3A4MAPTMAPK1
SCHEMBL30239922 0.80 LMNA (0.63) LMNAELANECYP3A4MAPTMAPK1

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-20200188878-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2020-06-18 — — US disclosed
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2012-03-01 — — 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-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 LMNA 3479/4885ELANE 2013/4885CYP3A4 780/4885
US-20200188878-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 LMNA 3479/4885ELANE 2013/4885CYP3A4 780/4885

“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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