SCHEMBL8107007

SCHEMBL8107007

CC(C)(C)C(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.47
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNH2 Q12809 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
SLC6A9 P48067 1/20 0.38
S1PR1 P21453 1/20 0.36
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
UGT8 Q16880 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL22354451 1.00 ALDH1A1 (0.49) ALDH1A1POLBHSD17B10CYP3A4CYP2D6
SCHEMBL25161958 0.94 ALDH1A1 (0.47) ALDH1A1POLBHSD17B10CYP3A4CYP2D6
SCHEMBL26261918 0.94 ALDH1A1 (0.47) ALDH1A1POLBHSD17B10CYP3A4CYP2D6
SCHEMBL25162163 0.94 ALDH1A1 (0.45) ALDH1A1POLBHSD17B10CYP3A4CYP2D6
SCHEMBL13669538 0.92 ALDH1A1 (0.44) ALDH1A1POLBHSD17B10CYP3A4CYP2D6
SCHEMBL14422380 0.92 ALDH1A1 (0.44) ALDH1A1POLBHSD17B10CYP3A4CYP2D6
SCHEMBL12091395 0.92 ALDH1A1 (0.44) ALDH1A1POLBHSD17B10CYP3A4CYP2D6
SCHEMBL12091394 0.92 ALDH1A1 (0.44) ALDH1A1POLBHSD17B10CYP3A4CYP2D6
SCHEMBL4086161 0.91 ALDH1A1 (0.54) ALDH1A1POLBCYP3A4CYP2D6PKM
SCHEMBL25162116 0.91 KDM4E (0.44) ALDH1A1POLBHSD17B10CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230355813-A1 Theranostic Silicon-Fluoride Heteroaromatic Systems and Methods Thereof FUZIONAIRE DIAGNOSTICS, INC. (US) 2023-11-09 US disclosed
US-20230355813-A1 Theranostic Silicon-Fluoride Heteroaromatic Systems and Methods Thereof FUZIONAIRE DIAGNOSTICS, INC. (US) 2023-11-09 US disclosed
US-20230346971-A1 METHOD FOR TREATING TUMOURS BY CAPTURING COPPER AND/OR IRON LYON INGENIERIE PROJETS (FR) 2023-11-02 US disclosed
US-20230295227-A1 COMPOUNDS FOR USE IN DIAGNOSIS AND/OR MONITORING OF FIBROSIS ANTAROS TRACER AB (SE) 2023-09-21 US disclosed
US-20230295227-A1 COMPOUNDS FOR USE IN DIAGNOSIS AND/OR MONITORING OF FIBROSIS ANTAROS TRACER AB (SE) 2023-09-21 US disclosed
EP-3929196-B1 PHARMACEUTICAL COMPOSITION OF A NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF FUJIFILM CORP (JP) 2023-08-23 EP disclosed
US-20230218781-A1 METHODS FOR TRIGGERING M1 MACROPHAGE POLARIZATION LYON INGENIERIE PROJETS (FR) 2023-07-13 US disclosed
US-20230147035-A1 PROSTATE-SPECIFIC MEMBRANE ANTIGEN TARGETED HIGH-AFFINITY AGENTS FOR ENDORADIOTHERAPY OF PROSTATE CANCER THE JOHNS HOPKINS UNIVERSITY 2023-05-11 US disclosed
US-20230136073-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF FUJIFILM CORPORATION (JP) 2023-05-04 US disclosed
US-20230127047-A1 SELECTIVE GIP RECEPTOR AGONISTS COMPRISING A CHELATING MOIETY FOR IMAGING AND THERAPY PURPOSES ANTAROS MEDICAL AB (SE) 2023-04-27 US disclosed
US-7261876-B2 Multivalent constructs for therapeutic and diagnostic applications BRACCO INTERNATIONAL BV (NL) 2007-08-28 US disclosed
US-7261876-B2 Multivalent constructs for therapeutic and diagnostic applications BRACCO INTERNATIONAL BV (NL) 2007-08-28 US disclosed
US-20070172428-A1 MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2007-07-26 US disclosed
US-20070172428-A1 MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2007-07-26 US disclosed
US-7226577-B2 Gastrin releasing peptide compounds BRACCO IMAGING, S. P. A. (IT) 2007-06-05 US disclosed
US-7226577-B2 Gastrin releasing peptide compounds BRACCO IMAGING, S. P. A. (IT) 2007-06-05 US disclosed
US-7211240-B2 Multivalent constructs for therapeutic and diagnostic applications BRACCO INTERNATIONAL B.V. (NL) 2007-05-01 US disclosed
US-7211240-B2 Multivalent constructs for therapeutic and diagnostic applications BRACCO INTERNATIONAL B.V. (NL) 2007-05-01 US disclosed
US-20040210041-A1 Multimeric proteins for use in the treatment and detection of cell proliferative disorders ARBOGAST CHRISTOPHE (FR) 2004-10-21 US disclosed
US-20040210041-A1 Multimeric proteins for use in the treatment and detection of cell proliferative disorders ARBOGAST CHRISTOPHE (FR) 2004-10-21 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 (9 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-20230136073-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF SLC39A3, SLC39A14, SLC39A11 ALDH1A1 3098/4885POLB 4507/4885HSD17B10 3201/4885
US-20230346971-A1 METHOD FOR TREATING TUMOURS BY CAPTURING COPPER AND/OR IRON SLC40A1, FECH, TFRC ALDH1A1 1086/4885POLB 2491/4885HSD17B10 2920/4885
US-20230355813-A1 Theranostic Silicon-Fluoride Heteroaromatic Systems and Methods Thereof FRS2, PAICS, FGF23 ALDH1A1 3761/4885POLB 3568/4885HSD17B10 3829/4885
US-20230295227-A1 COMPOUNDS FOR USE IN DIAGNOSIS AND/OR MONITORING OF FIBROSIS COL1A1, INHA, COL2A1 ALDH1A1 1860/4885POLB 258/4885HSD17B10 2286/4885
US-20230127047-A1 SELECTIVE GIP RECEPTOR AGONISTS COMPRISING A CHELATING MOIETY FOR IMAGING AND THERAPY PURPOSES GIPR, GRPR, GLP1R ALDH1A1 4537/4885POLB 4678/4885HSD17B10 4682/4885
US-20230147035-A1 PROSTATE-SPECIFIC MEMBRANE ANTIGEN TARGETED HIGH-AFFINITY AGENTS FOR ENDORADIOTHERAPY OF PROSTATE CANCER KLK3, FOLH1, ASGR1 ALDH1A1 3647/4885POLB 4000/4885HSD17B10 2704/4885
US-20230218781-A1 METHODS FOR TRIGGERING M1 MACROPHAGE POLARIZATION CD14, CD209, MSR1 ALDH1A1 3219/4885POLB 4615/4885HSD17B10 4819/4885
US-20070172428-A1 MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS CD47, BCR, CD44 ALDH1A1 4079/4885POLB 1557/4885HSD17B10 4378/4885
US-20040210041-A1 Multimeric proteins for use in the treatment and detection of cell proliferative disorders MKI67, TP53, VHL ALDH1A1 4127/4885POLB 471/4885HSD17B10 3734/4885

“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.