SCHEMBL3310683

SCHEMBL3310683

COC(=O)c1ccc(CNCCNCc2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
HPGD P15428 1/20 0.64
LOXL2 Q9Y4K0 1/20 0.61
CA1 P00915 5/20 0.58
CA2 P00918 5/20 0.58
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
CYP4A11 Q02928 2/20 0.56
CYP4F2 P78329 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
CA12 O43570 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
MAPT P10636 2/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL9016956 0.92 LMNA (0.68) LMNAHPGDLOXL2CA1CA2
SCHEMBL13378249 0.91 LMNA (0.59) LMNAHPGDLOXL2CA1CA2
SCHEMBL28206352 0.91 CYP4A11 (0.60) LMNAHPGDLOXL2CA1CA2
Hydrochloric Acid SCHEMBL15393160 0.90 LMNA (0.66) LMNAHPGDLOXL2CA1CA2
SCHEMBL7249257 0.90 LOXL2 (0.64) LMNAHPGDLOXL2CA1CA2
Hydrochloric Acid SCHEMBL16507466 0.90 LMNA (0.57) LMNAHPGDLOXL2CA1CA2
SCHEMBL15270773 0.90 LMNA (0.57) LMNAHPGDLOXL2CA1CA2
SCHEMBL15270260 0.88 S1PR1 (0.57) LMNAHPGDLOXL2CA1CA2
SCHEMBL4928792 0.88 CYP4A11 (0.66) LMNAHPGDLOXL2CA1CA2
SCHEMBL2655924 0.87 HPGD (0.62) LMNAHPGDLOXL2CA1CA2

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-20100098650-A1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2010-04-22 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 (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-20100098650-A1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES PKM, APEH, PLG LMNA 1672/4885HPGD 6/4885LOXL2 4309/4885

“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.