SCHEMBL615593

SCHEMBL615593

COc1nc(Cl)cc(I)c1C=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCR4 P51679 2/20 0.32
LMNA P02545 1/20 0.32
MCL1 Q07820 1/20 0.32
ERN1 O75460 2/20 0.31
PRKDC P78527 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
SCHEMBL10048729 0.82 CYP2C9 (0.36) ALDH1A1HPGDMCL1ERN1PRKDC
SCHEMBL23726022 0.82 ALDH1A1 (0.34) ALDH1A1GAAHPGDSMN1; SMN2CCR4
SCHEMBL25272811 0.81 ALDH1A1 (0.36) ALDH1A1GAAHPGDSMN1; SMN2CCR4
SCHEMBL23724851 0.79 CCR4 (0.39) ALDH1A1GAAHPGDSMN1; SMN2CCR4
SCHEMBL616113 0.78 MCL1 (0.31) MCL1ERN1
SCHEMBL18725395 0.76 ALDH1A1 (0.33) ALDH1A1GAAHPGDSMN1; SMN2LMNA
SCHEMBL30431426 0.76 KDM4E (0.34) ALDH1A1LMNA
SCHEMBL18031330 0.76 KDM4E (0.34) ALDH1A1LMNA
SCHEMBL18725432 0.74 SQOR (0.36) ALDH1A1GAAHPGDSMN1; SMN2CCR4
SCHEMBL6368869 0.72 HPGD (0.37) HPGDCCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466287-B2 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2013-06-18 US disclosed
US-20120041204-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE KABUSHIKI KAISHA YAKULT HONSHA (JP) 2012-02-16 US disclosed
US-8067595-B2 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2011-11-29 US disclosed
CN-101193895-B Method for producing tricyclic ketone YAKULT HONSHA KK 2011-06-01 CN disclosed
US-20090023927-A1 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2009-01-22 US disclosed
CN-101193895-A Method for producing tricyclic ketone YAKULT HONSHA KK (JP) 2008-06-04 CN disclosed
EP-1900740-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE Kabushiki Kaisha Yakult Honsha (JP) 2008-03-19 EP disclosed
EP-0758333-B1 INTERMEDIATES IN PHARMACEUTICAL CAMPTOTHECIN PREPARATION OSI PHARM INC (US) 2004-03-03 EP disclosed
EP-0646117-B1 METHODS AND INTERMEDIATES FOR THE ASYMMETRIC SYNTHESIS OF CAMPTOTHECIN AND CAMPTOTHECIN ANALOGS UNIV NORTH CAROLINA STATE (US) 2001-07-25 EP disclosed
JP-2001055377-A INTERMEDIATE FOR SYNTHESIZING RAW MATERIAL COMPOUND FOR CAMPTOTHECIN AND ITS ANALOGUE NORTH CAROLINA STATE UNIV 2001-02-27 JP disclosed
US-5258516-A Optically pure D,E ring intermediates useful for the synthesis of camptothecin and camptothecin analogs NC STATE UNIVERSITY (US) 1993-11-02 US disclosed
EP-0565621-A1 METHOD OF MAKING CAMPTOTHECIN AND CAMPTOTHECIN ANALOGS NORTH CAROLINA STATE UNIVERSITY (US) 1993-10-20 EP disclosed
US-5254690-A Alkoxymethylpyridine d-ring intermediates useful for the synthesis of camptpthecin and camptothecin analogs NORTH CAROLINA STATE UNIVERSITY (US) 1993-10-19 US disclosed
US-5247089-A Method of making intermediates useful for the manufacture of camptothecin and camptothecin analogs NORTH CAROLINA STATE UNIVERSITY (US) 1993-09-21 US disclosed
US-5243050-A Alkylpyridone DE ring intermediates useful for the manufacture of camptothecin and camptothecin analogs NORTH CAROLINA STATE UNIVERSITY (US) 1993-09-07 US disclosed
US-5212317-A Methods and intermediates for the assymmetric synthesis of camptothecin and camptothecin analogs NORTH CAROLINA STATE UNIVERSITY (US) 1993-05-18 US disclosed
US-5200524-A Camptothecin intermediates and method of making same NORTH CAROLINA STATE UNIVERSITY (US) 1993-04-06 US disclosed
US-5191082-A Camptothecin intermediate and method of making camptothecin intermediates NORTH CAROLINA STATE UNIVERSITY (US) 1993-03-02 US disclosed
US-5162532-A INTERMEDIATES AND METHOD OF MAKING CAMPTOTHECIN AND CAMPTOTHECIN ANALOGS NORTH CAROLINA STATE UNIVERSITY (US) 1992-11-10 US disclosed
WO-1992011263-A1 METHOD OF MAKING CAMPTOTHECIN AND CAMPTOTHECIN ANALOGS NORTH CAROLINA STATE UNIVERSITY (US) 1992-07-09 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-20120041204-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE TKT, DCK, COASY ALDH1A1 1539/4885GAA 1506/4885HPGD 946/4885
US-20090023927-A1 Process for producing tricyclic ketone TKT, DCK, COASY ALDH1A1 1539/4885GAA 1506/4885HPGD 946/4885

“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.