SCHEMBL16625291

SCHEMBL16625291

COc1c(C)cc(Nc2cc(C)c(OC)c(C)c2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
GAA P10253 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
G6PD P11413 1/20 0.40
CYP26A1 O43174 1/20 0.39
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ACHE P22303 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 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
SCHEMBL26325075 0.95 ALDH1A1 (0.48) ALDH1A1GAAMEN1KMT2AL3MBTL1
SCHEMBL16621434 0.87 GAA (0.51) ALDH1A1GAAMEN1KMT2AL3MBTL1
SCHEMBL15497463 0.85 RAB9A (0.65) ALDH1A1GAAMEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL9526742 0.78 ALDH1A1 (0.47) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL9255856 0.75 ALDH1A1 (0.53) ALDH1A1GAAMEN1KMT2AL3MBTL1
SCHEMBL129762 0.75 ACHE (0.57) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL10030804 0.75 ACHE (0.43) ALDH1A1KDM4ETDP1MAPTMAPK1
SCHEMBL8400954 0.74 ALDH1A1 (0.42) ALDH1A1TDP1ACHETSHRTAS1R3
SCHEMBL1155340 0.74 MEN1 (0.48) ALDH1A1GAAMEN1KMT2AL3MBTL1
SCHEMBL8382704 0.73 ALDH1A1 (0.66) ALDH1A1GAAMEN1KMT2AKDM4E

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-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents WILLIAM MARSH RICE UNIVERSITY (US) 2023-09-26 US disclosed
US-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents WILLIAM MARSH RICE UNIVERSITY (US) 2023-09-26 US disclosed
WO-2018213572-A9 PREPARATION OF SECONDARY AMINES WITH ELECTROPHILIC N-LINCHPIN REAGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2018-12-13 WO disclosed
WO-2018213572-A1 PREPARATION OF SECONDARY AMINES WITH ELECTROPHILIC N-LINCHPIN REAGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2018-11-22 WO disclosed
US-9997714-B2 Hole transport material MERCK PATENT GMBH (DE) 2018-06-12 US disclosed
US-9997714-B2 Hole transport material MERCK PATENT GMBH (DE) 2018-06-12 US disclosed
US-20160254449-A1 HOLE TRANSPORT MATERIAL MERCK PATENT GMBH (DE) 2016-09-01 US disclosed
US-20160254449-A1 HOLE TRANSPORT MATERIAL MERCK PATENT GMBH (DE) 2016-09-01 US disclosed
WO-2015049031-A1 HOLE TRANSPORT MATERIAL MERCK PATENT GMBH (DE) 2015-04-09 WO 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-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents PNMT, NCL, NPM1 ALDH1A1 1805/4885GAA 3549/4885MEN1 296/4885
US-20160254449-A1 HOLE TRANSPORT MATERIAL SUN2, SLC6A19, SLCO2A1 ALDH1A1 3172/4885GAA 4349/4885MEN1 787/4885

“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.