SCHEMBL5872224

SCHEMBL5872224

O=[C]CCCC(=O)c1ccc2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.60
HDAC8 Q9BY41 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
KDM4E B2RXH2 3/20 0.59
HPGD P15428 2/20 0.59
ALDH1A1 P00352 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
PTPN1 P18031 1/20 0.56
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50

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
SCHEMBL6959126 0.81 HDAC1 (0.65) HDAC1HDAC8SMN1; SMN2KDM4EHPGD
SCHEMBL10971761 0.80 HDAC1 (0.63) HDAC1HDAC8SMN1; SMN2KDM4EHPGD
SCHEMBL5641458 0.80 HDAC1 (0.63) HDAC1HDAC8SMN1; SMN2KDM4EHPGD
SCHEMBL30161792 0.80 SMN1; SMN2 (0.69) HDAC1HDAC8SMN1; SMN2KDM4EHPGD
SCHEMBL13443094 0.80 PTPN1 (0.69) HDAC1HDAC8SMN1; SMN2KDM4EHPGD
SCHEMBL4931148 0.80 SMN1; SMN2 (0.69) HDAC1HDAC8SMN1; SMN2KDM4EHPGD
SCHEMBL8780100 0.80 HDAC1 (0.68) HDAC1HDAC8SMN1; SMN2KDM4EHPGD
SCHEMBL2035615 0.79 TDP1 (0.67) HDAC1HDAC8SMN1; SMN2KDM4EHPGD
SCHEMBL8533379 0.79 SMN1; SMN2 (0.61) HDAC1HDAC8SMN1; SMN2KDM4EHPGD
SCHEMBL8598241 0.79 HDAC1 (0.66) HDAC1HDAC8SMN1; SMN2KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060270855-A1 Methods of preparing retroviral proteases inhibitor intermediates G.D. SEARLE & CO. (US) 2006-11-30 US disclosed
US-7060851-B2 Method of preparing retroviral protease inhibitor intermediates G.D. SEARLE & CO. (US) 2006-06-13 US disclosed
US-20050131075-A1 Method of preparing retroviral protease inhibitor intermediates G.D. SEARLE & CO. (US) 2005-06-16 US disclosed
CN-1623977-A Method of preparing retroviral protease inhibitor intermediates SEARLE & CO (US) 2005-06-08 CN disclosed
US-6849760-B2 Method of preparing retroviral protease inhibitor intermediates G. D. SEARLE & CO. (US) 2005-02-01 US disclosed
EP-0970066-B1 Preparation of aminoepoxides from aminoaldehydes and an in situ formed halomethyl organometallic reagent SEARLE & CO (US) 2003-09-17 EP disclosed
US-20030171612-A1 Method of preparing retroviral protease inhibitor intermediates G.D. SEARLE & CO. 2003-09-11 US disclosed
US-6515162-B2 Precipitating or crystallizing a salt from solution; suitable as intermediates for large scale production of enzyme inhibitors, e.g. hydroxyethylamine, hydroxyethylurea and hydroxyethylsulfonamide G.D. SEARLE & CO. 2003-02-04 US disclosed
EP-0855388-B1 Method for making intermediates useful in synthesis of retroviral protease inhibitors SEARLE & CO (US) 2002-03-06 EP disclosed
US-20010047111-A1 Method of preparing retroviral protease inhibitor intermediates NG JOHN S (US) 2001-11-29 US disclosed
US-5872299-A Method of preparing intermediates for retroviral protease inhibitors G. D. SEARLE & CO. (US) 1999-02-16 US disclosed
US-5831117-A ACID SALTS G. D. SEARLE & CO. (US) 1998-11-03 US disclosed
EP-0855388-A2 Method for making intermediates useful in synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 1998-07-29 EP disclosed
WO-1998029401-A1 AMINOEPOXIDES FROM AMINOALDEHYDES AND IN-SITU FORMED HALOMETHYL ORGANOMETALLIC REAGENT G.D. SEARLE & CO. (US) 1998-07-09 WO disclosed
CN-1177955-A Process for preparing retroviral protease inhibitor intermediates SEARLE & CO (US) 1998-04-01 CN disclosed
EP-0804410-A1 METHOD OF PREPARING RETROVIRAL PROTEASE INHIBITOR INTERMEDIATES G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed
US-5648511-A Method for making intermediates useful in the synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 1997-07-15 US disclosed
EP-0730570-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-11 EP disclosed
WO-1996022275-A1 METHOD OF PREPARING RETROVIRAL PROTEASE INHIBITOR INTERMEDIATES G.D. SEARLE & CO. (US) 1996-07-25 WO disclosed
WO-1995014653-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-06-01 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-20060270855-A1 Methods of preparing retroviral proteases inhibitor intermediates ACE, REN, MME HDAC1 1795/4885HDAC8 2703/4885SMN1; SMN2 2989/4885
US-20030171612-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME HDAC1 1592/4885HDAC8 2440/4885SMN1; SMN2 2891/4885
US-20010047111-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME HDAC1 1592/4885HDAC8 2440/4885SMN1; SMN2 2891/4885
US-20050131075-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME HDAC1 1734/4885HDAC8 2431/4885SMN1; SMN2 2945/4885

“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.