SCHEMBL4921070

SCHEMBL4921070

O=[C]c1ccc(CF)cc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.32
CYP2A6 P11509 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
FFAR1 O14842 2/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 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
SCHEMBL104811 0.76 APP (0.32)
SCHEMBL1338455 0.76 HRH3 (0.35) HRH3LOXL2CYP3A4TSHR
SCHEMBL3033222 0.75 FFAR1 (0.37) FFAR1TSHR
SCHEMBL1516489 0.74 TSHR (0.43) FFAR1TSHR
SCHEMBL1802180 0.74 CA1 (0.43) CYP2A6LOXL2FFAR1CYP3A4TSHR
SCHEMBL23091413 0.74 IDO1 (0.46) CYP2A6LOXL2FFAR1CYP3A4TSHR
SCHEMBL720296 0.74 HDAC8 (0.40) HRH3CYP2A6LOXL2FFAR1
SCHEMBL6249906 0.74 TSHR (0.43) CYP2A6LOXL2FFAR1CYP3A4TSHR
SCHEMBL10270726 0.74 LOXL2 (0.58) CYP2A6LOXL2TSHR
SCHEMBL225425 0.74 CYP2A6 (0.58) CYP2A6TSHR

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
CN-101856502-A Radiolabeling insulin HAMMERSMITH IMANET LTD 2010-10-13 CN disclosed
US-20080213174-A1 Radiolabelled Insulin GLASER MATTHIAS EBERHARD 2008-09-04 US disclosed
CN-101052423-A Radiolabelled insulin AMERSHAM HEALTH AS (GB) 2007-10-10 CN disclosed
EP-1789098-A2 RADIOLABELLED INSULIN Hammersmith Imanet, Ltd (GB) 2007-05-30 EP disclosed
EP-1722827-A2 RADIOHALOGENATED BENZAMIDE DERIVATIVES AND THEIR USE IN TUMOR DIAGNOSIS AND TUMOR THERAPY Schering AG (DE) 2006-11-22 EP disclosed
CN-1758925-A Radiofluorination method of bioactive carrier AMERSHAM HEALTH AS (NO) 2006-04-12 CN disclosed
WO-2006030197-A2 RADIOLABELLED INSULIN HAMMERSMITH IMANET LTD (GB) 2006-03-23 WO disclosed
WO-2005089815-A2 RADIOHALOGENATED BENZAMIDE DERIVATIVES AND THEIR USE IN TUMOR DIAGNOSIS AND TUMOR THERAPY SCHERING AG (DE) 2005-09-29 WO disclosed
US-5280015-A 2-substituted adenosines and 2-substituted adenosine 5'-carboxamides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-01-18 US disclosed
US-5098996-A Fluorination of compounds for use in diagnosis of nuclear medicine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1992-03-24 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 (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-20080213174-A1 Radiolabelled Insulin INSR, GPR119, IAPP HRH3 93/4885CYP2A6 2079/4885LOXL2 4532/4885

“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.