SCHEMBL7245706

SCHEMBL7245706

CCN(CC)C(=O)/C=C/c1ccc(Br)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.70
NPC1 O15118 2/20 0.70
MAPT P10636 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 1/20 0.56
USP2 O75604 1/20 0.56
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.56
RECQL P46063 1/20 0.56
KMT2A Q03164 1/20 0.56
TLR9 Q9NR96 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TRPM8 Q7Z2W7 2/20 0.55
LTB4R Q15722 1/20 0.53
LTB4R2 Q9NPC1 1/20 0.53
MAOB P27338 3/20 0.49
MAOA P21397 2/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
GPR183 P32249 1/20 0.49

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
SCHEMBL7245709 1.00 L3MBTL1 (0.70) L3MBTL1NPC1MAPTALDH1A1MEN1
SCHEMBL31228779 0.84 NPC1 (0.72) L3MBTL1NPC1TRPM8LTB4RLTB4R2
SCHEMBL28501196 0.84 NPC1 (0.72) L3MBTL1NPC1MAPTALDH1A1POLB
SCHEMBL31228704 0.84 NPC1 (0.72) L3MBTL1NPC1TRPM8LTB4RLTB4R2
SCHEMBL28378955 0.84 ALDH1A1 (0.54) L3MBTL1NPC1MAPTALDH1A1MEN1
SCHEMBL28514351 0.83 NPC1 (0.70) L3MBTL1NPC1MAPTMEN1KMT2A
SCHEMBL28887174 0.83 NPC1 (0.70) L3MBTL1NPC1TRPM8LTB4RLTB4R2
N,N-Diethylcinnamamide SCHEMBL23550023 0.82 NPC1 (1.00) L3MBTL1NPC1MAPTALDH1A1RECQL
N,N-Diethylcinnamamide SCHEMBL4956226 0.82 NPC1 (1.00) L3MBTL1NPC1MAPTALDH1A1RECQL
N,N-Diethylcinnamamide SCHEMBL4956221 0.82 NPC1 (1.00) L3MBTL1NPC1MAPTALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073671-A1 Non-steroidal ligands for the estrogen receptor WILLSON TIMOTHY MARK (US) 2003-04-17 US disclosed
US-20010053774-A1 Non-steroidal ligands for the estrogen receptor GLAXO WELLCOME INC.. 2001-12-20 US disclosed
US-6207716-B1 FOR PROPHYLAXIS AND THERAPY OF OSTEOPOROSIS, ARTHRITIS, BREAST CANCER, CARDIOVASCULAR DISEASE GLAXO WELLCOME INC. 2001-03-27 US disclosed
US-5877219-A Non-steroidal ligands for the estrogen receptor GLAXO WELLCOMEINC. (US) 1999-03-02 US disclosed
WO-1999007668-A1 NON-STEROIDAL LIGANDS FOR THE ESTROGEN RECEPTOR GLAXO WELLCOME INC. (US) 1999-02-18 WO disclosed
US-5681835-A USEFUL FOR TREATING OSTEOPOROSIS GLAXO WELLCOME INC. (US) 1997-10-28 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-20010053774-A1 Non-steroidal ligands for the estrogen receptor ESRRB, ESR2, ESRRA L3MBTL1 4303/4885NPC1 2296/4885MAPT 4729/4885
US-20030073671-A1 Non-steroidal ligands for the estrogen receptor ESRRB, ESR2, ESRRA L3MBTL1 4303/4885NPC1 2296/4885MAPT 4729/4885

“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.