SCHEMBL21058261

SCHEMBL21058261

CCC(C)(C)Nc1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
HPGD P15428 3/20 0.47
POLB P06746 2/20 0.39
AR P10275 1/20 0.39
TSHR P16473 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
HTT P42858 1/20 0.36
ACHE P22303 1/20 0.36
GAA P10253 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL16256857 0.89 TEAD4 (0.42) MAPTHPGDPOLBTSHRMEN1
SCHEMBL15342876 0.86 AR (0.41) MAPTHPGDPOLBARTSHR
SCHEMBL13091135 0.83 GAA (0.45) MAPTHPGDPOLBTSHRMEN1
SCHEMBL16256858 0.80 MTNR1B (0.44) MAPTHPGDPOLBMEN1KMT2A
SCHEMBL5983235 0.80 NPC1 (0.48) MAPTHPGDPOLBTSHRMEN1
SCHEMBL23456270 0.80 L3MBTL1 (0.47) POLBARTSHRMEN1KMT2A
SCHEMBL21799469 0.80 MAPT (0.40) MAPTARTSHRMEN1KMT2A
SCHEMBL21132145 0.80 TSHR (0.41) MAPTARTSHRMEN1KMT2A
Ammonia Solution, Strong SCHEMBL9364517 0.80 MAPT (0.43) MAPTHPGDPOLBTSHRMEN1
SCHEMBL19334551 0.80 KDM4E (0.47) MAPTARMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds THE UNIVERSITY OF TOLEDO (US) 2020-12-15 US claimed
US-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds THE UNIVERSITY OF TOLEDO (US) 2019-06-20 US claimed
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds THE UNIVERSITY OF TOLEDO (US) 2020-12-15 US disclosed
US-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds THE UNIVERSITY OF TOLEDO (US) 2019-06-20 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-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds CHKB, HRH3, PNMT MAPT 3743/4885HPGD 1891/4885POLB 3276/4885
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds CHKB, HRH3, PNMT MAPT 3652/4885HPGD 1958/4885POLB 3309/4885

“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.