SCHEMBL6006763

SCHEMBL6006763

COC(C)(C)C(=O)OC(C)O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ABCB11 O95342 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
ADRB3 P13945 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
CNR1 P21554 1/20 0.30
ACHE P22303 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
ADRA1A P35348 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
SCHEMBL23293044 0.83 TSHR (0.42) MEN1USP2ABCB11LMNACYP1A2
SCHEMBL6948871 0.79 PRKCA (0.31)
SCHEMBL6948877 0.79 PRKCA (0.31)
SCHEMBL8990557 0.79 MEN1 (0.33) MEN1USP2ABCB11LMNACYP1A2
SCHEMBL18260177 0.78 TSHR (0.31) TSHR
SCHEMBL6007742 0.77 PRKCA (0.43) TSHR
Ammonia Solution, Strong SCHEMBL28497725 0.75 PRKCA (0.42) TSHR
SCHEMBL1254813 0.73 ELANE (0.31) TSHR
SCHEMBL194990 0.71
SCHEMBL21641901 0.70 TSHR (0.32) TSHR

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040208823-A1 SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT LANTHEUS MEDICAL IMAGING, INC. 2004-10-21 US claimed
US-6348504-B1 COMPOUNDS WITH AMIDINE OR GUANIDINE GROUPS AND CARBOXY OR ESTER GROUPS THROMBOLYTICS AND/OR FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS. DUPONT PHARMACEUTICALS COMPANY 2002-02-19 US claimed
US-6322770-B1 FOR DIAGNOSIS AND TREATMENT OF CANCER, IMAGING TUMORS, MONITORING THERAPEUTIC ANGIOGENESIS TREATMENT AND DESTRUCTION OF NEW ANGIOGENIC VASCULATURE; COMPRISED OF TARGETING MOIETY THAT BINDS TO RECEPTOR AND RADIOISOTOPE DUPONT PHARMACEUTICALS COMPANY 2001-11-27 US claimed
EP-0832077-B1 IMPROVED ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARM CO (US) 2001-11-14 EP claimed
US-5961483-A Iontophoretic delivery of cell adhesion inhibitors COLLATERAL AGENTS, LLC 1999-10-05 US claimed
EP-0920345-A4 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS VYTERIS INC (US) 2006-05-10 EP disclosed
US-6348504-B1 COMPOUNDS WITH AMIDINE OR GUANIDINE GROUPS AND CARBOXY OR ESTER GROUPS THROMBOLYTICS AND/OR FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS. DUPONT PHARMACEUTICALS COMPANY 2002-02-19 US disclosed
US-6319937-B1 INHIBITION OF PLATELET AGGREGATION, AS THROMBOLYTICS, AND/OR TREATMENT OF THROMBOEMBOLIC DISORDERS. DUPONT PHARMACEUTICALS COMPANY 2001-11-20 US disclosed
US-5961483-A Iontophoretic delivery of cell adhesion inhibitors COLLATERAL AGENTS, LLC 1999-10-05 US disclosed
US-5935598-A DEVICE FOR NON-INVASIVE ADMINISTRATION OF A CELL ADHESION RECEPTOR ANTAGONIST TO A MAMMAL; CURRENT DISTRIBUTING MEMBER, IONIZABLE ANTAGONIST RESERVOIR, ELECTROLYTE RESERVOIR, POWDER SOURCE; TREATING THROMBOSIS, ANTICOAGULANTS BECTON DICKINSON RESEARCH CENTER (US) 1999-08-10 US disclosed
EP-0920345-A1 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS Becton Dickinson and Company (US) 1999-06-09 EP disclosed
WO-1997048444-A1 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS BECTON DICKINSON AND COMPANY (US) 1997-12-24 WO disclosed
WO-1997048443-A1 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS BECTON DICKINSON AND COMPANY (US) 1997-12-24 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 (1 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-20040208823-A1 SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT TNNI3, ASGR1, TNNT2 MEN1 734/4885USP2 4199/4885ABCB11 3337/4885

“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.