SCHEMBL2112047

SCHEMBL2112047

O=C(O)CCN1C(=O)c2cccc3c(Br)ccc(c23)C1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 14/20 0.67
▸ ALDH1A1 P00352 2/20 0.61
▸ POLB P06746 2/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ PABPC1 P11940 1/20 0.61
▸ RXFP1 Q9HBX9 1/20 0.59
▸ HDAC3 O15379 1/20 0.55
▸ HDAC4 P56524 1/20 0.55
▸ HDAC1 Q13547 1/20 0.55
▸ HDAC7 Q8WUI4 1/20 0.55
▸ HDAC2 Q92769 1/20 0.55
▸ HDAC10 Q969S8 1/20 0.55
▸ HDAC11 Q96DB2 1/20 0.55
▸ HDAC8 Q9BY41 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55

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
SCHEMBL30149986 1.00 CYP1B1 (0.67) CYP1B1ALDH1A1POLBMEN1KMT2A
SCHEMBL3853303 0.92 CYP1B1 (0.69) CYP1B1ALDH1A1POLBMEN1KMT2A
SCHEMBL11351321 0.86 CYP1B1 (0.67) CYP1B1ALDH1A1POLBMEN1KMT2A
SCHEMBL30353799 0.84 CYP1B1 (0.68) CYP1B1ALDH1A1POLBMEN1KMT2A
SCHEMBL10261817 0.84 CYP1B1 (0.68) CYP1B1ALDH1A1POLBMEN1KMT2A
SCHEMBL29493708 0.84 CYP1B1 (0.68) CYP1B1ALDH1A1POLBMEN1KMT2A
SCHEMBL28798795 0.83 KEAP1 (0.64) CYP1B1ALDH1A1POLBMEN1KMT2A
SCHEMBL9952436 0.83 KDM4E (0.63) CYP1B1ALDH1A1POLBMEN1KMT2A
SCHEMBL28942835 0.83 CYP1B1 (0.57) CYP1B1ALDH1A1POLBMEN1KMT2A
SCHEMBL26243132 0.82 CYP1B1 (0.70) CYP1B1ALDH1A1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022120206-A2 ROOM-TEMPERATURE PHOSPHORESCENCE NANOPARTICLES AND METHODS OF MAKING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-06-09 — — WO disclosed
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-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
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
EP-1383772-A2 NITROGEN-BASED CAMPTOTHECIN DERIVATIVES California Pacific Medical Center (US) 2004-01-28 — — EP disclosed
WO-2003101998-A1 NITROGEN-BASED HOMO-CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2003-12-11 — — WO 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
WO-2002070525-A2 NITROGEN-BASED CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2002-09-12 — — WO 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 (4 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 CYP1B1 237/4885ALDH1A1 1708/4885POLB 3818/4885
US-20030073698-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 CYP1B1 284/4885ALDH1A1 1488/4885POLB 1048/4885
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES APEH, DAGLA, DPY30 CYP1B1 885/4885ALDH1A1 285/4885POLB 3645/4885
US-20030032624-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 CYP1B1 284/4885ALDH1A1 1488/4885POLB 1048/4885

“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.

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