SCHEMBL2832076

SCHEMBL2832076

C[Si](C)(C)c1c(F)cccc1C=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.52
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
NFE2L2 Q16236 2/20 0.37
TLR2 O60603 1/20 0.35
TLR1 Q15399 1/20 0.35
TLR6 Q9Y2C9 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TRIM24 O15164 2/20 0.34
TRIM33 Q9UPN9 2/20 0.34
KCNN4 O15554 1/20 0.34
IKBKB O14920 1/20 0.33
CYP2A6 P11509 1/20 0.32

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
SCHEMBL29956284 0.72 ERN1 (0.57) ERN1MEN1LMNATHRBBLM
SCHEMBL31283290 0.72 MAOB (0.33) LMNAKMT2ATDP1ALDH1A1NFE2L2
SCHEMBL2636253 0.72 MAOB (0.33) LMNAKMT2ATDP1ALDH1A1NFE2L2
SCHEMBL97029 0.72 ERN1 (0.57) ERN1MEN1LMNATHRBBLM
SCHEMBL154794 0.72 ERN1 (0.61) ERN1MEN1LMNATHRBBLM
Hydrochloric Acid SCHEMBL28530037 0.71 ERN1 (0.55) ERN1MEN1LMNATHRBBLM
SCHEMBL22122728 0.71 ERN1 (0.55) ERN1MEN1LMNATHRBBLM
Hydrochloric Acid SCHEMBL28546985 0.71 ERN1 (0.55) ERN1MEN1LMNATHRBBLM
SCHEMBL20465749 0.71
SCHEMBL29540911 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655640-B2 Camptothecin analogs and methods of preparation thereof UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-02-02 US disclosed
US-7514418-B2 Camptothecin analogs and methods of preparation thereof University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2009-04-07 US disclosed
EP-1017399-B1 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF UNIV PITTSBURGH (US) 2008-12-24 EP disclosed
US-20080269169-A1 Camptothecin analogs and methods of preparation thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-10-30 US disclosed
EP-1140948-A4 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF UNIV PITTSBURGH (US) 2008-01-02 EP disclosed
US-20070259905-A1 Camptothecin analogs and methods of preparation thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-08 US disclosed
US-7271159-B2 Camptothecin analogs and methods of preparation thereof UNIVERSITY OF PITTSBURGH (US) 2007-09-18 US disclosed
CN-1177850-C Camptothecin analogs and methods of preparation thereof ƥ�ȱ���ѧ 2004-12-01 CN disclosed
US-6743917-B2 7-(TRIALKYLSILYLALKYL)-CAMPTOTHECIN OF GIVEN FORMULA BY CYCLIZING A 4-HYDROXY-6-HALO,7-(TRIALKYLSILYLALKYL)-3,4,7,8-TETRAHYDRO-1H-PYRANO(3,4 -C)PYRIDIN-3,8-DIONE WITH AN ARYL ISONITRILE UNIVERSITY OF PITTSBURGH 2004-06-01 US disclosed
US-20040029835-A1 Camptothecin analogs and methods of preparation thereof UNIVERSITY OF PITTSBURGH 2004-02-12 US disclosed
US-20020193598-A1 Camptothecin analogs and methods of preparation thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-12-19 US disclosed
EP-1017399-A4 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF UNIV PITTSBURGH (US) 2002-11-13 EP disclosed
US-6455699-B1 SUCH AS (20S)10-HYDROXY-7-TERT-BUTYLDIMETHYLSILYL-CAMPHTOTHECIN; ANTITUMOR AGENTS; SOLUBILITY; BIOAVAILABILITY/ BIODISTRIBUTION UNIVERSITY OF PITTSBURGH 2002-09-24 US disclosed
CN-1352646-A Camptothecin analogues and preparation method thereof UNIV PITTSBURGH (US) 2002-06-05 CN disclosed
EP-1140948-A1 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF UNIVERSITY OF PITTSBURGH (US) 2001-10-10 EP disclosed
US-6150343-A 10-HYDROXY-7-SUBSTITUTED SILYLCAMPTOTHECIN DERIVATIVE IS USED AS ANTICARCINOGENIC AND ANTITUMOR AGENT UNIVERSITY OF PITTSBURGH (US) 2000-11-21 US disclosed
US-6136978-A CYCLIZING SILYL COMPOUND WITH ARYL ISONITRILE COMPOUND TO FORM SILYL CAMPTOTHECIN DERIVATIVE UNIVERSITY OF PITTSBURGH (US) 2000-10-24 US disclosed
EP-1017399-A1 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF University of Pittsburgh (US) 2000-07-12 EP disclosed
WO-2000035924-A1 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF UNIVERSITY OF PITTSBURGH (US) 2000-06-22 WO disclosed
WO-1999009996-A1 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF UNIVERSITY OF PITTSBURGH (US) 1999-03-04 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 (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-20020193598-A1 Camptothecin analogs and methods of preparation thereof TOP1, TOP2A, TOP2B ERN1 1096/4885MEN1 1072/4885LMNA 654/4885
US-20070259905-A1 Camptothecin analogs and methods of preparation thereof ADCY9, BCL9, ADCY10 ERN1 2107/4885MEN1 2019/4885LMNA 2731/4885
US-20080269169-A1 Camptothecin analogs and methods of preparation thereof TOP2A, TOP1, TOP2B ERN1 3092/4885MEN1 781/4885LMNA 298/4885
US-20040029835-A1 Camptothecin analogs and methods of preparation thereof HCCS, ADCY10, TOP2A ERN1 985/4885MEN1 1117/4885LMNA 507/4885

“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.