SCHEMBL5872304

SCHEMBL5872304

[CH2]c1cc(C)c(C)cc1CCl

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PON1 P27169 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.30
ALDH1A1 P00352 2/20 0.30
CYP1A2 P05177 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP7 P55210 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL5903257 0.83 ALDH1A1 (0.33) PON1KDM4EMAPK1RAB9AKMT2A
SCHEMBL5598488 0.81 PON1 (0.36) PON1KDM4EMAPK1RAB9AKMT2A
SCHEMBL6063365 0.76 ALDH1A1 (0.39) PON1KDM4EMAPK1RAB9AKMT2A
SCHEMBL442987 0.75 ALDH1A1 (0.42) PON1KDM4EMAPK1RAB9AKMT2A
SCHEMBL5872014 0.73 PGK1 (0.31) PON1KDM4EMAPK1RAB9AKMT2A
SCHEMBL15890143 0.70 TSHR (0.36) PON1KDM4EMAPK1RAB9AKMT2A
SCHEMBL1336683 0.67 PGK1 (0.42) PON1KDM4EMAPK1RAB9AKMT2A
SCHEMBL25814539 0.67 HSPA5 (0.35) PON1KDM4EMAPK1RAB9AKMT2A
SCHEMBL11720817 0.67 KDM4E (0.30) PON1KDM4EMAPK1RAB9AKMT2A
SCHEMBL10890673 0.67 PON1 (0.35) PON1KDM4EMAPK1RAB9AKMT2A

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 10 patents. 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
US-6849760-B2 Method of preparing retroviral protease inhibitor intermediates G. D. SEARLE & CO. (US) 2005-02-01 US 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
US-20010047111-A1 Method of preparing retroviral protease inhibitor intermediates NG JOHN S (US) 2001-11-29 US disclosed
EP-0804410-B1 METHOD OF PREPARING RETROVIRAL PROTEASE INHIBITOR INTERMEDIATES SEARLE & CO (US) 2001-08-29 EP disclosed
US-6201150-B1 DIASTEREOMER PURIFICATION METHOD COMPRISING PREPARING AN ORGANIC ACID OR INORGANIC ACID SALT OF AN AMINO COMPOUND AND PRECIPITATING OR CRYSTALLIZING SAID SALT FROM A SOLUTION G.D. SEARLE & CO. 2001-03-13 US disclosed
US-5831117-A ACID SALTS G. D. SEARLE & CO. (US) 1998-11-03 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-20060270855-A1 Methods of preparing retroviral proteases inhibitor intermediates ACE, REN, MME PON1 176/4885KDM4E 1543/4885MAPK1 1861/4885
US-20030171612-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME PON1 162/4885KDM4E 1570/4885MAPK1 1799/4885
US-20010047111-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME PON1 162/4885KDM4E 1570/4885MAPK1 1799/4885
US-20050131075-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME PON1 133/4885KDM4E 1503/4885MAPK1 1857/4885

“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.