SCHEMBL2113299

SCHEMBL2113299

O=C(O)CCC1=NCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
KEAP1 Q14145 1/20 0.34
ALDH1A1 P00352 1/20 0.33
FFAR1 O14842 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.32
ALKBH5 Q6P6C2 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
P4HTM Q9NXG6 1/20 0.31
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL27581458 0.86 LMNA (0.41) TP53RAB9AALDH1A1NPSR1LMNA
SCHEMBL22176854 0.80 TP53 (0.34) TP53RAB9A
SCHEMBL6698418 0.78
SCHEMBL9376005 0.67
SCHEMBL17234473 0.67 ALDH1A1 (0.41) TP53RAB9AALDH1A1LMNAGAA
SCHEMBL17234472 0.67 TP53 (0.68) TP53RAB9AALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL10384625 0.67 ALDH1A1 (0.41) TP53RAB9AALDH1A1LMNAGAA
SCHEMBL12438888 0.66 NOS3 (0.41) TP53RAB9AKMT2ANOS3NOS1
SCHEMBL5195370 0.66 FFAR1 (0.43) KEAP1FFAR1NPSR1LMNAALKBH5
SCHEMBL27517929 0.65 KEAP1 (0.33) KEAP1ALDH1A1FFAR1NPSR1LMNA

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2388003-B1 Colchicine derivatives CALIFORNIA PACIFIC MEDICAL CENTER (US) 2021-12-29 EP disclosed
EP-3207929-B1 COLCHICINE DERIVATIVES FOR THE TREATMENT OF CANCER CALIFORNIA PACIFIC MEDICAL CENTER (US) 2021-05-26 EP disclosed
EP-3207929-A2 COLCHICINE DERIVATIVES California Pacific Medical Center (US) 2017-08-23 EP disclosed
EP-1617843-B1 COLCHICINE DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2016-12-21 EP disclosed
EP-1643987-B1 PODOPHYLLOTOXIN DERIVATIVES CALIFORNIA PACIFIC MED CENTER (US) 2016-11-30 EP disclosed
US-8158809-B2 Podophyllotoxin derivatives SUTTER WEST BAY HOSPITALS (US) 2012-04-17 US disclosed
EP-2388003-A2 Colchicine derivatives California Pacific Medical Center (US) 2011-11-23 EP disclosed
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES Sutter West Bay Hospitals, dba California Pacific Medical Center and Catholic Healthcare West 2009-12-03 US disclosed
US-7605262-B2 Podophyllotoxin derivatives SUTTER WEST BAY HOSPITALS (US) 2009-10-20 US disclosed
US-20080113941-A1 Podophyllotoxin Derivatives CALIFORNIA PACIFIC MEDICAL CENTER 2008-05-15 US disclosed
US-6855720-B2 Nitrogen-based camptothecin derivatives CALIFORNIA PACIFIC MEDICAL CENTER (US) 2005-02-15 US disclosed
US-20050004169-A1 Podophyllotoxin derivatives SUTTER WEST BAY HOSPITALS, DBA CALIFORNIA PACIFIC MEDICAL CENTER 2005-01-06 US disclosed
US-6825236-B2 ACTIVE AGAINST TUMORS IN MICE AND ARE GENERALLY WELL TOLERATED CALIFORNIA PACIFIC MEDICAL CENTER 2004-11-30 US disclosed
US-6825207-B2 ANTICANCER AGENTS CALIFORNIA PACIFIC MEDICAL CENTER 2004-11-30 US disclosed
US-20040204370-A1 COLCHICINE DERIVATIVES SUTTER WEST BAY HOSPITALS, DBA CALIFORNIA PACIFIC MEDICAL CENTER 2004-10-14 US disclosed
CN-1511159-A Nitrogen-based camptothecin derivatives ����������̫ƽ��ҽѧ���� 2004-07-07 CN disclosed
US-20040063740-A1 For treatment of cancer SUTTER WEST BAY HOSPITALS, DBA CALIFORNIA PACIFIC MEDICAL CENTER 2004-04-01 US disclosed
US-20030073698-A1 Nitrogen-based camptothecin derivatives US ARMY, SECRETARY OF THE ARMY 2003-04-17 US disclosed
US-20030032624-A1 Nitrogen-based camptothecin derivatives US ARMY, SECRETARY OF THE ARMY 2003-02-13 US disclosed
US-6403604-B1 ANTITUMOR CALIFORNIA PACIFIC MEDICAL CENTER 2002-06-11 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 (7 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-20040063740-A1 For treatment of cancer MGMT, PAICS, DCK TP53 11/4885RAB9A 3767/4885KEAP1 2043/4885
US-20080113941-A1 Podophyllotoxin Derivatives APEH, DAGLA, DPY30 TP53 550/4885RAB9A 2924/4885KEAP1 2817/4885
US-20030073698-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 TP53 117/4885RAB9A 1151/4885KEAP1 2105/4885
US-20050004169-A1 Podophyllotoxin derivatives APEH, DAGLA, DPY30 TP53 550/4885RAB9A 2924/4885KEAP1 2817/4885
US-20040204370-A1 COLCHICINE DERIVATIVES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, NAP1L4 TP53 1356/4885RAB9A 4341/4885KEAP1 1705/4885
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES APEH, DAGLA, DPY30 TP53 550/4885RAB9A 2924/4885KEAP1 2817/4885
US-20030032624-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 TP53 117/4885RAB9A 1151/4885KEAP1 2105/4885

“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.