SCHEMBL12326879

SCHEMBL12326879

O=C1CCCCCN1C(=O)NCCNCCNC(=O)N1CCCCCC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
MITF O75030 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.36
MAPT P10636 4/20 0.33
RECQL P46063 2/20 0.33
STAT6 P42226 1/20 0.32
TP53 P04637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 2/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
THRB P10828 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL14003616 0.90 HTT (0.38) LMNAMITFSMN1; SMN2ALDH1A1KMT2A
SCHEMBL6259978 0.89 LMNA (0.41) LMNAMITFSMN1; SMN2ALDH1A1KMT2A
SCHEMBL19968525 0.89 LMNA (0.41) LMNAMITFSMN1; SMN2ALDH1A1KMT2A
SCHEMBL18012879 0.87 LMNA (0.44) LMNAMITFSMN1; SMN2ALDH1A1KMT2A
SCHEMBL1374699 0.87 LMNA (0.44) LMNAMITFSMN1; SMN2ALDH1A1KMT2A
SCHEMBL5019491 0.87 LMNA (0.44) LMNAMITFSMN1; SMN2ALDH1A1KMT2A
SCHEMBL16151509 0.83 PAOX (0.43) LMNAMITFSMN1; SMN2USP2KDM4E
SCHEMBL11816203 0.83 HTT (0.44) LMNAMITFSMN1; SMN2ALDH1A1KMT2A
SCHEMBL12465216 0.83 LMNA (0.41) LMNAMITFSMN1; SMN2ALDH1A1KMT2A
SCHEMBL15178109 0.83 LMNA (0.41) LMNAMITFSMN1; SMN2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853321-B2 Laser curable polymerisable composition for the protection of hard tissue DENTSPLY INTERNATIONAL INC. (US) 2014-10-07 US disclosed
US-20140058010-A1 LASER CURABLE POLYMERISABLE COMPOSITION FOR THE PROTECTION OF HARD TISSUE DENTSPLY INTERNATIONAL INC. (US) 2014-02-27 US disclosed
EP-1771142-B1 LASER CURABLE POLYMERISABLE DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2011-09-07 EP disclosed
US-20080274442-A1 Laser curable polymerisable composition for the protection of hard tissue KLEE JOACHIM E 2008-11-06 US disclosed
US-20080274442-A1 Laser curable polymerisable composition for the protection of hard tissue KLEE JOACHIM E 2008-11-06 US disclosed
US-20070010597-A1 Laser curable polymerisable composition for he protection of hard tissue DENTSPLY RESEARCH AND DEVELOPMENT CORP. (US) 2007-01-11 US disclosed
US-20070010597-A1 Laser curable polymerisable composition for he protection of hard tissue DENTSPLY RESEARCH AND DEVELOPMENT CORP. (US) 2007-01-11 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 (3 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-20080274442-A1 Laser curable polymerisable composition for the protection of hard tissue HSPA2, CDH1, HSPH1 LMNA 1198/4885MITF 3864/4885SMN1; SMN2 3200/4885
US-20140058010-A1 LASER CURABLE POLYMERISABLE COMPOSITION FOR THE PROTECTION OF HARD TISSUE HSPA2, CDH1, HSPH1 LMNA 1198/4885MITF 3864/4885SMN1; SMN2 3200/4885
US-20070010597-A1 Laser curable polymerisable composition for he protection of hard tissue HSPH1, HEATR1, HSPA2 LMNA 1391/4885MITF 4281/4885SMN1; SMN2 3498/4885

“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.