SCHEMBL734304

SCHEMBL734304

CC(C)(C)B1Oc2ccccc2O1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 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
SCHEMBL2746875 0.81 CYP2A6 (0.34)
SCHEMBL14046758 0.77 PKM (0.33)
SCHEMBL11408529 0.73 ALDH1A1 (0.38)
SCHEMBL22331573 0.69
SCHEMBL45637 0.69 ABCG2 (0.36) ABCG2ITGB2ICAM1ITGAL
SCHEMBL29450629 0.67 ABCG2 (0.40) ABCG2ITGB2ICAM1ITGAL
SCHEMBL29435911 0.67 ABCG2 (0.40) ABCG2ITGB2ICAM1ITGAL
SCHEMBL3889220 0.67 ABCG2 (0.40) ABCG2ITGB2ICAM1ITGAL
SCHEMBL5952003 0.67
SCHEMBL6419935 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655261-B2 Method for preparing 18F-BPA and intermediate NEUBORON MEDTECH LTD. (CN) 2023-05-23 US disclosed
US-11655261-B2 Method for preparing 18F-BPA and intermediate NEUBORON MEDTECH LTD. (CN) 2023-05-23 US disclosed
US-20210230192-A1 METHOD FOR PREPARING 18F-BPA AND INTERMEDIATE NEUBORON MEDTECH LTD. (CN) 2021-07-29 US disclosed
US-10738064-B2 Chiral α-amino tertiary boronic esters PURDUE RESEARCH FOUNDATION (US) 2020-08-11 US disclosed
US-9856194-B2 Catalysts for the production of methanol from carbon dioxide UNIVERSITé LAVAL (CA) 2018-01-02 US disclosed
US-20170283432-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-TRICYCLOPYRIMIDINE-2-AMINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK PIERRE FABRE MEDICAMENT (FR) 2017-10-05 US disclosed
US-20170283432-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-TRICYCLOPYRIMIDINE-2-AMINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK PIERRE FABRE MEDICAMENT (FR) 2017-10-05 US disclosed
US-20170281622-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-2-AMINO-4-ARYL-PYRIMIDINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK PIERRE FABRE MEDICAMENT (FR) 2017-10-05 US disclosed
US-20170281622-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-2-AMINO-4-ARYL-PYRIMIDINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK PIERRE FABRE MEDICAMENT (FR) 2017-10-05 US disclosed
US-20170121295-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2017-05-04 US disclosed
US-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI (FR) 2012-03-01 US disclosed
US-20120004404-A1 RADIOLABELLING METHODS HAMMERSMITH IMANET LIMITED (GB) 2012-01-05 US disclosed
US-20110251194-A1 ANTINEOPLASTIC DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
US-20110160249-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN INHIBITOR AMIRA PHARMACEUTICALS, INC. 2011-06-30 US disclosed
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-02 US disclosed
US-7704752-B2 Signalling compounds for use in methods of detecting hydrogen peroxide LUMIGEN, INC. (US) 2010-04-27 US disclosed
US-20100055800-A1 Compositions for Chemiluminescent Detection of Hydrogen Peroxide LUMIGEN, INC. (US) 2010-03-04 US disclosed
US-20090291981-A1 5-Lipoxygenase-Activating Protein Inhibitor AMIRA PHARMACEUTICALS, INC. (US) 2009-11-26 US disclosed
US-20080261318-A1 Signalling Compounds For Use In Methods Of Detecting Hydrogen Peroxide LUMIGEN, INC. (US) 2008-10-23 US disclosed
US-7390670-B2 Signalling compounds and methods for detecting hydrogen peroxide LUMIGEN, INC. (US) 2008-06-24 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 (12 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-20170121295-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF LPAR1, LPAR2, LPAR4 ABCG2 2042/4885ITGB2 3542/4885ICAM1 2489/4885
US-20170283432-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-TRICYCLOPYRIMIDINE-2-AMINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK JAK2, JAK3, JAK1 ABCG2 3839/4885ITGB2 2946/4885ICAM1 4814/4885
US-20110160249-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN INHIBITOR ALOX5, PRMT5, ALOX5AP ABCG2 4255/4885ITGB2 4340/4885ICAM1 3643/4885
US-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS NAMPT, NNT, NQO1 ABCG2 223/4885ITGB2 2963/4885ICAM1 4169/4885
US-20120004404-A1 RADIOLABELLING METHODS ARFGEF1, TMEM14C, PIGO ABCG2 608/4885ITGB2 2356/4885ICAM1 3508/4885
US-20090291981-A1 5-Lipoxygenase-Activating Protein Inhibitor ALOX5, LTA4H, ALOX5AP ABCG2 3027/4885ITGB2 4646/4885ICAM1 4264/4885
US-20210230192-A1 METHOD FOR PREPARING 18F-BPA AND INTERMEDIATE CYP19A1, SHBG, ESR1 ABCG2 460/4885ITGB2 3140/4885ICAM1 4361/4885
US-20110251194-A1 ANTINEOPLASTIC DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF MCL1, PAICS, SLCO1B1 ABCG2 8/4885ITGB2 3496/4885ICAM1 4854/4885
US-11655261-B2 Method for preparing 18F-BPA and intermediate CYP19A1, SHBG, ESR1 ABCG2 460/4885ITGB2 3140/4885ICAM1 4361/4885
US-20170281622-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-2-AMINO-4-ARYL-PYRIMIDINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK JAK2, JAK3, JAK1 ABCG2 3406/4885ITGB2 3014/4885ICAM1 4809/4885
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NNT, NAMPT, NQO1 ABCG2 414/4885ITGB2 1099/4885ICAM1 4167/4885
US-10738064-B2 Chiral α-amino tertiary boronic esters HBB, BCAT1, BCAT2 ABCG2 1951/4885ITGB2 1735/4885ICAM1 4516/4885

“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.