SCHEMBL244932

SCHEMBL244932

CCCC[Sn](CCCC)(CCCC)c1ccc(OC)c(OC)c1N1C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
POLB P06746 1/20 0.42
NR1H3 Q13133 7/20 0.40
NR1H2 P55055 4/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CASP6 P55212 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL244899 0.73 LMNA (0.37) ALDH1A1POLBSMN1; SMN2HTTKDM4E
SCHEMBL27373488 0.71 SMN1; SMN2 (0.50) ALDH1A1POLBRAB9ANPC1SMN1; SMN2
SCHEMBL1256860 0.69 CA1 (0.43) ALDH1A1SMN1; SMN2TP53
SCHEMBL6788210 0.66 NR1H2 (0.43) ALDH1A1NR1H3NR1H2KDM4EMEN1
SCHEMBL4424149 0.66 KMT2A (0.63) ALDH1A1POLBNR1H3NR1H2HTT
SCHEMBL30758585 0.64 ALDH1A1 (0.55) ALDH1A1POLBNR1H3NR1H2RAB9A
SCHEMBL29168848 0.64 ALDH1A1 (0.55) ALDH1A1POLBNR1H3NR1H2RAB9A
SCHEMBL7071784 0.62 KDM4E (0.40) SMN1; SMN2KDM4E
SCHEMBL6837995 0.62 LMNA (0.43) ALDH1A1KDM4E
SCHEMBL14844567 0.62 ALDH1A1 (0.35) ALDH1A1RAB9ANPC1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3284736-B1 FLUORINATION OF AROMATIC RING SYSTEMS NUTECH VENTURES (US) 2021-03-03 EP disclosed
EP-3284736-A1 FLUORINATION OF AROMATIC RING SYSTEMS NUtech Ventures (US) 2018-02-21 EP disclosed
EP-2537826-B1 Fluorination of aromatic ring systems NUTECH VENTURES (US) 2017-03-08 EP disclosed
US-9302990-B2 Fluorination of aromatic ring systems NUTECH VENTURES (US) 2016-04-05 US disclosed
EP-2726446-A2 FLUORINATION OF AROMATIC RING SYSTEMS Nutech Ventures (US) 2014-05-07 EP disclosed
US-8604213-B2 Fluorination of aromatic ring systems NUTECH VENTURES (US) 2013-12-10 US disclosed
US-8377704-B2 Detection and quantification of anions NUTECH VENTURES (US) 2013-02-19 US disclosed
WO-2013003734-A2 FLUORINATION OF AROMATIC RING SYSTEMS NUTECH VENTURES (US) 2013-01-03 WO disclosed
EP-2537826-A1 Fluorination of aromatic ring systems Nutech Ventures (US) 2012-12-26 EP disclosed
US-20120004417-A1 FLUORINATION OF AROMATIC RING SYSTEMS NATIONAL SCIENCE FOUNDATION 2012-01-05 US disclosed
US-20110313170-A1 Fluorination of Aromatic Ring Systems BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2011-12-22 US disclosed
US-20110091982-A1 Detection and Quantification of Anions NUTECH VENTURES 2011-04-21 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-20120004417-A1 FLUORINATION OF AROMATIC RING SYSTEMS PFAS, SLC43A1, DDC ALDH1A1 2774/4885POLB 929/4885NR1H3 4343/4885
US-20110313170-A1 Fluorination of Aromatic Ring Systems PFAS, SLC43A1, DDC ALDH1A1 2774/4885POLB 929/4885NR1H3 4343/4885

“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.