SCHEMBL3040478

SCHEMBL3040478

C[N+]1(CCCCCCCCCC[N+]2(C)CCCCC2)CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
APOBEC3A P31941 2/20 0.57
APOBEC3G Q9HC16 2/20 0.57
KMT2A Q03164 2/20 0.57
BBOX1 O75936 2/20 0.54
KDM4E B2RXH2 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.46
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
TP53 P04637 1/20 0.39
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38

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
SCHEMBL3037609 1.00 LMNA (0.57) LMNAAPOBEC3AAPOBEC3GKMT2ABBOX1
SCHEMBL12638422 1.00 LMNA (0.57) LMNAAPOBEC3AAPOBEC3GKMT2ABBOX1
SCHEMBL3043744 1.00 LMNA (0.57) LMNAAPOBEC3AAPOBEC3GKMT2ABBOX1
SCHEMBL417495 1.00 LMNA (0.57) LMNAAPOBEC3AAPOBEC3GKMT2ABBOX1
SCHEMBL923466 1.00 LMNA (0.57) LMNAAPOBEC3AAPOBEC3GKMT2ABBOX1
Water SCHEMBL23525630 0.97 LMNA (0.55) LMNAAPOBEC3AAPOBEC3GKMT2ABBOX1
Hydrochloric Acid SCHEMBL29716086 0.97 BBOX1 (0.56) LMNAAPOBEC3AAPOBEC3GKMT2ABBOX1
Water SCHEMBL14914647 0.97 LMNA (0.55) LMNAAPOBEC3AAPOBEC3GKMT2ABBOX1
Bromide SCHEMBL14914316 0.97 LMNA (0.55) LMNAAPOBEC3AAPOBEC3GKMT2ABBOX1
Water SCHEMBL14861565 0.97 LMNA (0.55) LMNAAPOBEC3AAPOBEC3GKMT2ABBOX1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2174911-A1 Method for preparing a zeolite with MTW-type structure IFP (FR) 2010-04-14 EP claimed
US-8999298-B2 Dental oral composition NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2015-04-07 US disclosed
US-8147807-B2 Oral composition for dental purposes NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2012-04-03 US disclosed
US-20100330005-A1 DENTAL ORAL COMPOSITION KURARAY MEDICAL INC. (JP) 2010-12-30 US disclosed
US-20100240714-A1 ORAL COMPOSITION FOR DENTAL PURPOSES NAT. UNI. CORP. OKAYAMA UNIVERSITY (JP) 2010-09-23 US disclosed
EP-2174911-A1 Method for preparing a zeolite with MTW-type structure IFP (FR) 2010-04-14 EP 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-20100330005-A1 DENTAL ORAL COMPOSITION TAS2R42, TAS2R43, PPM1G LMNA 4782/4885APOBEC3A 3603/4885APOBEC3G 3671/4885
US-20100240714-A1 ORAL COMPOSITION FOR DENTAL PURPOSES DDOST, PPM1G, PHOSPHO1 LMNA 4854/4885APOBEC3A 4221/4885APOBEC3G 3781/4885

“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.