SCHEMBL14904507

SCHEMBL14904507

CCOCCCCOCC(O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.57
ALDH1A1 P00352 3/20 0.57
LMNA P02545 2/20 0.50
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
RIPK1 Q13546 1/20 0.40
AOC3 Q16853 1/20 0.40
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TAAR1 Q96RJ0 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
SCHEMBL15955454 0.90 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL18377331 0.88 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL11158758 0.88 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL10512429 0.88 LMNA (0.52) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL10512588 0.87 LMNA (0.59) SMN1; SMN2ALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL10511898 0.84 LMNA (0.55) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL16800096 0.81 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1RAB9ANPC1KDM4E
SCHEMBL18530454 0.80 LMNA (0.43) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL14865536 0.79 IDO1 (0.47) LMNAMEN1KMT2A
SCHEMBL4426990 0.79 LMNA (0.56) SMN1; SMN2LMNARAB9ANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9320685-B2 Dental compositions comprising ethylenically unsaturated addition-fragmentation agent 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-04-26 US disclosed
US-9295617-B2 Dental composition, method of producing and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-03-29 US disclosed
US-20150238389-A1 DENTAL COMPOSITIONS COMPRISING ETHYLENICALLY UNSATURATED ADDITION-FRAGMENTATION AGENT SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2015-08-27 US disclosed
US-9056043-B2 Dental compositions comprising ethylenically unsaturated addition-fragmentation agent 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-06-16 US disclosed
US-9012531-B2 Dental compositions comprising mixture of isocyanurate monomer and tricyclodecane monomer 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-04-21 US disclosed
US-20140220512-A1 DENTAL COMPOSITIONS COMPRISING MIXTURE OF ISOCYANURATE MONOMER AND TRICYCLODECANE MONOMER 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-08-07 US disclosed
US-8710113-B2 Dental composition, kit of parts and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-04-29 US disclosed
US-20130303655-A1 DENTAL COMPOSITION, METHOD OF PRODUCING AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-11-14 US disclosed
US-20130109777-A1 DENTAL COMPOSITION, KIT OF PARTS AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-05-02 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 (4 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-20130303655-A1 DENTAL COMPOSITION, METHOD OF PRODUCING AND USE THEREOF PAM, PTMS, ACR SMN1; SMN2 4797/4885ALDH1A1 2692/4885LMNA 489/4885
US-20140220512-A1 DENTAL COMPOSITIONS COMPRISING MIXTURE OF ISOCYANURATE MONOMER AND TRICYCLODECANE MONOMER INTS9, INTS6, ERCC1 SMN1; SMN2 2919/4885ALDH1A1 1049/4885LMNA 1118/4885
US-20150238389-A1 DENTAL COMPOSITIONS COMPRISING ETHYLENICALLY UNSATURATED ADDITION-FRAGMENTATION AGENT NR4A1, RXRG, RXRA SMN1; SMN2 3841/4885ALDH1A1 4052/4885LMNA 100/4885
US-20130109777-A1 DENTAL COMPOSITION, KIT OF PARTS AND USE THEREOF KIT, KDM5C, PHAX SMN1; SMN2 4651/4885ALDH1A1 2380/4885LMNA 57/4885

“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.