SCHEMBL2758306

SCHEMBL2758306

COC(=O)C(Cc1ccc(C(C)(C)C)cc1)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
ACACB O00763 2/20 0.44
NR1H4 Q96RI1 4/20 0.43
EPHX2 P34913 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL23279486 0.84 MEN1 (0.41) MEN1KMT2ALMNAALDH1A1TP53
SCHEMBL18256513 0.84 MEN1 (0.41) MEN1KMT2ALMNAALDH1A1TP53
SCHEMBL2758305 0.83 MEN1 (0.43) MEN1KMT2ALMNAALDH1A1MAPK1
SCHEMBL23072695 0.83 ESR1 (0.59) KMT2ATSHRNPC1RAB9AESR1
SCHEMBL7273379 0.83 ESR1 (0.59) KMT2ATSHRNPC1RAB9AESR1
SCHEMBL18328239 0.81 PTPRB (0.55) MEN1KMT2ALMNAALDH1A1TP53
SCHEMBL7030656 0.81 ALDH1A1 (0.55) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL7030654 0.81 ALDH1A1 (0.55) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL31299894 0.81 ALDH1A1 (0.55) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL8031433 0.80 TP53 (0.51) MEN1KMT2ALMNAALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9302990-B2 Fluorination of aromatic ring systems NUTECH VENTURES (US) 2016-04-05 US disclosed
US-8546578-B2 Iodonium Cyclophanes for SECURE arene functionalization NUTECH VENTURES (US) 2013-10-01 US 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-20110190505-A1 Iodonium Cyclophanes for SECURE Arene Functionalization NATIONAL SCIENCE FOUNDATION 2011-08-04 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-20120004417-A1 FLUORINATION OF AROMATIC RING SYSTEMS PFAS, SLC43A1, DDC MEN1 744/4885KMT2A 1182/4885LMNA 2489/4885
US-20110190505-A1 Iodonium Cyclophanes for SECURE Arene Functionalization ABL1, SLC7A5, DDC MEN1 2256/4885KMT2A 1869/4885LMNA 3537/4885
US-20110313170-A1 Fluorination of Aromatic Ring Systems PFAS, SLC43A1, DDC MEN1 744/4885KMT2A 1182/4885LMNA 2489/4885

“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.