SCHEMBL6017166

SCHEMBL6017166

CC(C)N(CC(O)COc1ccc(CC(=O)O)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.45
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 2/20 0.45
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
CNR1 P21554 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
NFKB1 P19838 1/20 0.45
THPO P40225 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
ADRB3 P13945 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL8667597 0.85 ADRB3 (0.48) ABCB1LMNATDP1TSHRADRB2
SCHEMBL10770754 0.82 ABCB1 (0.48) ABCB1LMNATSHRADRB3HTT
SCHEMBL9742465 0.75 LMNA (0.56) LMNATDP1TSHRADRB2ADRB1
SCHEMBL661905 0.74 LMNA (0.60) ABCB1LMNATDP1TSHRADRB2
SCHEMBL10072155 0.73 ADRB2 (0.78) LMNATDP1TSHRADRB2ADRB1
SCHEMBL9628892 0.73 ADRB2 (0.78) LMNATDP1TSHRADRB2ADRB1
SCHEMBL6674480 0.73 ADRB2 (0.78) LMNATDP1TSHRADRB2ADRB1
SCHEMBL10358142 0.73 LMNA (0.53) ABCB1LMNATDP1TSHRADRB2
SCHEMBL12697638 0.72 PLA2G4B (0.56) KDM4ENR1H2NR1H3RXRAPLA2G4B
Hydrochloric Acid SCHEMBL6016823 0.72 ADRB2 (0.76) LMNATDP1TSHRADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973552-B1 IMPROVEMENTS IN OR RELATING TO DIAGNOSTIC/THERAPEUTIC AGENTS AMERSHAM HEALTH AS (NO) 2006-03-01 EP disclosed
US-20050002865-A1 Diagnostic/therapeutic agents AMERSHAM HEALTH AS (NO) 2005-01-06 US disclosed
US-20040141922-A1 Diagnostic/therapeutic agents NYCOMED IMAGING AS 2004-07-22 US disclosed
US-6680047-B2 FOR USE IN ULTRASOUND IMAGING, CONTRAST AGENTS AMERSHAM HEALTH AS (NO) 2004-01-20 US disclosed
US-20020102215-A1 Diagnostic/therapeutic agents NYCOMED IMAGING AS 2002-08-01 US disclosed
US-20020102217-A1 Diagnostic/therapeutic agents NYCOMED IMAGING AS 2002-08-01 US disclosed
US-6331289-B1 ULTRASOUND CONTRAST AGENTS, SUSPENSION IN AQUEOUS CARRIER LIQUID OF A REPORTER COMPRISING GAS-CONTAINING OR GAS-GENERATING MATERIAL, AGENT CAPABLE OF FORMING AT LEAST TWO TYPES OF BINDING PAIRS WITH TARGET; REPORTER BEING CONJUGATED NYCOMED IMAGING AS (NO) 2001-12-18 US disclosed
US-6264917-B1 MIXTURE OF GAS FILLED MICROBUBBLES AND RELEASING AGENT NYCOMED IMAGING AS (NO) 2001-07-24 US disclosed
US-6261537-B1 TARGETS AND ULTRASOUND DIAGNOSIS OF ACTIVE MATERIALS, AQUEOUS CARRIER LIQUIDS, CARRIERS AND FILM FORMING SURFACTANT PHOSPHATIDES NYCOMED IMAGING AS (NO) 2001-07-17 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 (3 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-20040141922-A1 Diagnostic/therapeutic agents BID, FUS, FABP1 ABCB1 1042/4885LMNA 1461/4885TDP1 1645/4885
US-20050002865-A1 Diagnostic/therapeutic agents FUS, HNRNPF, HNRNPR ABCB1 845/4885LMNA 1180/4885TDP1 1878/4885
US-20020102215-A1 Diagnostic/therapeutic agents BID, FUS, FABP1 ABCB1 1312/4885LMNA 1552/4885TDP1 1721/4885

“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.